(3R)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(2-hydroxyethyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide

C19H20F7NO2 — CID 155031788

IUPAC(3R)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(2-hydroxyethyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide
SMILESO=C(NCCO)[C@@H]1CCC2c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CCC21
InChIInChI=1S/C19H20F7NO2/c20-17(18(21,22)23,19(24,25)26)11-2-4-12-10(9-11)1-3-14-13(12)5-6-15(14)16(29)27-7-8-28/h2,4,9,13-15,28H,1,3,5-8H2,(H,27,29)/t13?,14?,15-/m1/s1
InChIKeyHXYINKQHWGSBSI-YMAMQOFZSA-N
MW427.36 g/mol
LogP4.14
Rot. Bonds4

About (3R)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(2-hydroxyethyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide

(3R)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(2-hydroxyethyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide (PubChem CID 155031788) has the molecular formula C19H20F7NO2 and a molecular weight of 427.36 g/mol. Its IUPAC name is (3R)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(2-hydroxyethyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide.

Molecular Properties

Compound Name(3R)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(2-hydroxyethyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide
PubChem CID155031788
Molecular FormulaC19H20F7NO2
Molecular Weight427.36 g/mol
Exact Mass427.14
IUPAC Name(3R)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(2-hydroxyethyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide
SMILESO=C(NCCO)[C@@H]1CCC2c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CCC21
InChIInChI=1S/C19H20F7NO2/c20-17(18(21,22)23,19(24,25)26)11-2-4-12-10(9-11)1-3-14-13(12)5-6-15(14)16(29)27-7-8-28/h2,4,9,13-15,28H,1,3,5-8H2,(H,27,29)/t13?,14?,15-/m1/s1
InChIKeyHXYINKQHWGSBSI-YMAMQOFZSA-N
XLogP4.14
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.36
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3R)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(2-hydroxyethyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide with MolForge

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Related Compounds

N-[3-(2,2-dimethylpropylamino)-2-hydroxypropyl]-2-(9H-fluoren-9-yl)acetamide
CID 172444856
N-[3-(cyclopropylmethylamino)-2-hydroxypropyl]-2-(9H-fluoren-9-yl)acetamide
CID 172450045
N-[3-(cyclopentylmethylamino)-2-hydroxypropyl]-2-(9H-fluoren-9-yl)acetamide
CID 172459222
N-[2-hydroxy-3-(2,2,2-trifluoroethylamino)propyl]-9H-fluorene-9-carboxamide
CID 172470795
1-ethyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
CID 17915921
1-propyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
CID 17916877
1-butyl-N-(2,2,2-trifluoroethyl)-9H-fluorene-9-carboxamide
CID 67658274
[(8R,9S,13S,14S,15R)-17,17-difluoro-15-[3-(2-methoxyethylamino)-3-oxopropyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]boronic acid
CID 68805988
[(13S,15R)-17,17-difluoro-15-[3-(2-methoxyethylamino)-3-oxopropyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]boronic acid
CID 68805991
[(8R,9S,13S,14S,15S)-17,17-difluoro-15-[4-(2-methoxyethylamino)-4-oxobutyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]boronic acid
CID 68807004
[(13S,15S)-17,17-difluoro-15-[4-(2-methoxyethylamino)-4-oxobutyl]-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-yl]boronic acid
CID 68807006
N-(2,2,3,3,4,4,4-heptafluorobutyl)-9H-fluorene-9-carboxamide
CID 88253250

Frequently Asked Questions

What is the IUPAC name of (3R)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(2-hydroxyethyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide?
The IUPAC name of (3R)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(2-hydroxyethyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide (CID 155031788) is (3R)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(2-hydroxyethyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide.
What is the SMILES notation for (3R)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(2-hydroxyethyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide?
The canonical SMILES for (3R)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(2-hydroxyethyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide is O=C(NCCO)[C@@H]1CCC2c3ccc(C(F)(C(F)(F)F)C(F)(F)F)cc3CCC21.
What is the InChIKey of (3R)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(2-hydroxyethyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide?
The InChIKey is HXYINKQHWGSBSI-YMAMQOFZSA-N. The full InChI is InChI=1S/C19H20F7NO2/c20-17(18(21,22)23,19(24,25)26)11-2-4-12-10(9-11)1-3-14-13(12)5-6-15(14)16(29)27-7-8-28/h2,4,9,13-15,28H,1,3,5-8H2,(H,27,29)/t13?,14?,15-/m1/s1.
What are the key properties of (3R)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(2-hydroxyethyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide?
(3R)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(2-hydroxyethyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide has a molecular weight of 427.36 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-7-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-N-(2-hydroxyethyl)-2,3,3a,4,5,9b-hexahydro-1H-cyclopenta[a]naphthalene-3-carboxamide is sourced from PubChem (CID 155031788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).