N-[(3R,3aR,9bR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]-3-hydroxy-3-(hydroxymethyl)cyclobutane-1-carboxamide

C22H24F7NO3 — CID 134491343

IUPACN-[(3R,3aR,9bR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]-3-hydroxy-3-(hydroxymethyl)cyclobutane-1-carboxamide
SMILESO=C(N[C@@H]1CC[C@H]2c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C1CC(O)(CO)C1
InChIInChI=1S/C22H24F7NO3/c23-20(21(24,25)26,22(27,28)29)13-2-4-14-11(7-13)1-3-16-15(14)5-6-17(16)30-18(32)12-8-19(33,9-12)10-31/h2,4,7,12,15-17,31,33H,1,3,5-6,8-10H2,(H,30,32)/t12?,15-,16+,17+,19?/m0/s1
InChIKeyROGYSQYOKTZXGK-RPZOPQIKSA-N
MW483.42 g/mol
LogP4.03
Rot. Bonds4

About N-[(3R,3aR,9bR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]-3-hydroxy-3-(hydroxymethyl)cyclobutane-1-carboxamide

N-[(3R,3aR,9bR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]-3-hydroxy-3-(hydroxymethyl)cyclobutane-1-carboxamide (PubChem CID 134491343) has the molecular formula C22H24F7NO3 and a molecular weight of 483.42 g/mol. Its IUPAC name is N-[(3R,3aR,9bR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]-3-hydroxy-3-(hydroxymethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[(3R,3aR,9bR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]-3-hydroxy-3-(hydroxymethyl)cyclobutane-1-carboxamide
PubChem CID134491343
Molecular FormulaC22H24F7NO3
Molecular Weight483.42 g/mol
Exact Mass483.16
IUPAC NameN-[(3R,3aR,9bR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]-3-hydroxy-3-(hydroxymethyl)cyclobutane-1-carboxamide
SMILESO=C(N[C@@H]1CC[C@H]2c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C1CC(O)(CO)C1
InChIInChI=1S/C22H24F7NO3/c23-20(21(24,25)26,22(27,28)29)13-2-4-14-11(7-13)1-3-16-15(14)5-6-17(16)30-18(32)12-8-19(33,9-12)10-31/h2,4,7,12,15-17,31,33H,1,3,5-6,8-10H2,(H,30,32)/t12?,15-,16+,17+,19?/m0/s1
InChIKeyROGYSQYOKTZXGK-RPZOPQIKSA-N
XLogP4.03
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.42
LogP ≤ 54.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(3R,3aR,9bR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]-3-hydroxy-3-(hydroxymethyl)cyclobutane-1-carboxamide with MolForge

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Related Compounds

(3R,3aR,9bR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(3-hydroxycyclobutyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide
CID 134491274
N-[(3R,3aR,9bR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]-3-hydroxy-2,3-dimethylbutanamide
CID 134491511
N-[(3R,3aR,9bR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]-2-(hydroxymethyl)-2-methylpentanamide
CID 134510877
(3R,3aR,9bR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-[(1R,2R)-2-hydroxycyclopentyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide
CID 134510883
(3R)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(3-hydroxycyclobutyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide
CID 155031793
(3R)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-[(1R)-2-hydroxycyclopentyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide
CID 155031794
3-[[(3R)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 155031802
(3R,9bR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-[(1-hydroxycyclobutyl)methyl]-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide
CID 155031812
(3R)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(4-hydroxycyclohexyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide
CID 155031867
3-[[(3R,3aR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 155031992

Frequently Asked Questions

What is the IUPAC name of N-[(3R,3aR,9bR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]-3-hydroxy-3-(hydroxymethyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[(3R,3aR,9bR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]-3-hydroxy-3-(hydroxymethyl)cyclobutane-1-carboxamide (CID 134491343) is N-[(3R,3aR,9bR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]-3-hydroxy-3-(hydroxymethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[(3R,3aR,9bR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]-3-hydroxy-3-(hydroxymethyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[(3R,3aR,9bR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]-3-hydroxy-3-(hydroxymethyl)cyclobutane-1-carboxamide is O=C(N[C@@H]1CC[C@H]2c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CC[C@@H]12)C1CC(O)(CO)C1.
What is the InChIKey of N-[(3R,3aR,9bR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]-3-hydroxy-3-(hydroxymethyl)cyclobutane-1-carboxamide?
The InChIKey is ROGYSQYOKTZXGK-RPZOPQIKSA-N. The full InChI is InChI=1S/C22H24F7NO3/c23-20(21(24,25)26,22(27,28)29)13-2-4-14-11(7-13)1-3-16-15(14)5-6-17(16)30-18(32)12-8-19(33,9-12)10-31/h2,4,7,12,15-17,31,33H,1,3,5-6,8-10H2,(H,30,32)/t12?,15-,16+,17+,19?/m0/s1.
What are the key properties of N-[(3R,3aR,9bR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]-3-hydroxy-3-(hydroxymethyl)cyclobutane-1-carboxamide?
N-[(3R,3aR,9bR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]-3-hydroxy-3-(hydroxymethyl)cyclobutane-1-carboxamide has a molecular weight of 483.42 g/mol, XLogP of 4.03, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,3aR,9bR)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalen-3-yl]-3-hydroxy-3-(hydroxymethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 134491343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).