1-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea

C12H21F3N2O2 — CID 99620723

IUPAC1-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
SMILESCC[C@H](CO)NC(=O)N[C@H](C1CCCC1)C(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c1-2-9(7-18)16-11(19)17-10(12(13,14)15)8-5-3-4-6-8/h8-10,18H,2-7H2,1H3,(H2,16,17,19)/t9-,10-/m1/s1
InChIKeyBKGGRTAPWYWXOJ-NXEZZACHSA-N
MW282.31 g/mol
LogP2.18
Rot. Bonds5

About 1-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea

1-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea (PubChem CID 99620723) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 1-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea.

Molecular Properties

Compound Name1-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
PubChem CID99620723
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name1-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
SMILESCC[C@H](CO)NC(=O)N[C@H](C1CCCC1)C(F)(F)F
InChIInChI=1S/C12H21F3N2O2/c1-2-9(7-18)16-11(19)17-10(12(13,14)15)8-5-3-4-6-8/h8-10,18H,2-7H2,1H3,(H2,16,17,19)/t9-,10-/m1/s1
InChIKeyBKGGRTAPWYWXOJ-NXEZZACHSA-N
XLogP2.18
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 1-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea with MolForge

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Related Compounds

1-(4,4-difluorocyclohexyl)-3-[(2S)-1-hydroxy-4-methylpentan-2-yl]urea
CID 124286887
(3S)-N-(1-cyclopentyl-2,2,2-trifluoroethyl)-3-hydroxypyrrolidine-1-carboxamide
CID 86792371
1-(1-Cyclopentyl-2,2,2-trifluoroethyl)-3-[(2S)-1-hydroxy-3-methylbutan-2-YL]urea
CID 86800127
1-[(2S)-1-hydroxybutan-2-yl]-3-[4-(trifluoromethyl)cyclohexyl]urea
CID 86817460
(3S)-N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-hydroxypyrrolidine-1-carboxamide
CID 97881328
(3S)-N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-hydroxypyrrolidine-1-carboxamide
CID 97881329
1-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea
CID 99620722
N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide
CID 99620919
N-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-4-[(1R)-1-hydroxyethyl]piperidine-1-carboxamide
CID 99620922
N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-4-[(1S)-1-hydroxyethyl]piperidine-1-carboxamide
CID 99620923
N-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-4-[(1R)-1-hydroxyethyl]piperidine-1-carboxamide
CID 99620924
1-[(1S)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2S)-1-hydroxy-3-methylbutan-2-yl]urea
CID 99621484

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea?
The IUPAC name of 1-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea (CID 99620723) is 1-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea.
What is the SMILES notation for 1-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea?
The canonical SMILES for 1-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea is CC[C@H](CO)NC(=O)N[C@H](C1CCCC1)C(F)(F)F.
What is the InChIKey of 1-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea?
The InChIKey is BKGGRTAPWYWXOJ-NXEZZACHSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-2-9(7-18)16-11(19)17-10(12(13,14)15)8-5-3-4-6-8/h8-10,18H,2-7H2,1H3,(H2,16,17,19)/t9-,10-/m1/s1.
What are the key properties of 1-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea?
1-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea has a molecular weight of 282.31 g/mol, XLogP of 2.18, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-cyclopentyl-2,2,2-trifluoroethyl]-3-[(2R)-1-hydroxybutan-2-yl]urea is sourced from PubChem (CID 99620723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).