3-(cyclopentylmethylamino)-1,1,1-trifluoropropan-2-ol

C9H16F3NO — CID 63901061

IUPAC3-(cyclopentylmethylamino)-1,1,1-trifluoropropan-2-ol
SMILESOC(CNCC1CCCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c10-9(11,12)8(14)6-13-5-7-3-1-2-4-7/h7-8,13-14H,1-6H2
InChIKeyDTETVFSLKXSQRG-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.69
Rot. Bonds4

About 3-(cyclopentylmethylamino)-1,1,1-trifluoropropan-2-ol

3-(cyclopentylmethylamino)-1,1,1-trifluoropropan-2-ol (PubChem CID 63901061) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 3-(cyclopentylmethylamino)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(cyclopentylmethylamino)-1,1,1-trifluoropropan-2-ol
PubChem CID63901061
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name3-(cyclopentylmethylamino)-1,1,1-trifluoropropan-2-ol
SMILESOC(CNCC1CCCC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c10-9(11,12)8(14)6-13-5-7-3-1-2-4-7/h7-8,13-14H,1-6H2
InChIKeyDTETVFSLKXSQRG-UHFFFAOYSA-N
XLogP1.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(cyclopentylmethylamino)-1,1,1-trifluoropropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4,4-Difluoro-cyclohexylmethyl)-amino]-ethanol
CID 67152047
2-[(3,3-Difluorocyclohexyl)methylamino]ethanol
CID 68729593
1,1,1-Trifluoro-3-(6-methyloctylamino)propan-2-ol
CID 89935850
CID 4712667
CID 4712667
cyclohexylmethyl-[(2S)-3,3,3-trifluoro-2-hydroxypropyl]azanium
CID 7153079
(2S)-3-(cyclohexylmethylamino)-1,1,1-trifluoropropan-2-ol
CID 7153080
cyclohexylmethyl-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]azanium
CID 7153088
(2R)-3-(cyclohexylmethylamino)-1,1,1-trifluoropropan-2-ol
CID 7153089
N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61490524
1,1,1-Trifluoro-3-[(4-methylcyclohexyl)methylamino]propan-2-ol
CID 63899443
1,1,1-Trifluoro-3-[(2-methylcyclopentyl)amino]propan-2-ol
CID 63899444
1,1,1-Trifluoro-3-[(1-methylcyclopentyl)amino]propan-2-ol
CID 63900039

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethylamino)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(cyclopentylmethylamino)-1,1,1-trifluoropropan-2-ol (CID 63901061) is 3-(cyclopentylmethylamino)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(cyclopentylmethylamino)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(cyclopentylmethylamino)-1,1,1-trifluoropropan-2-ol is OC(CNCC1CCCC1)C(F)(F)F.
What is the InChIKey of 3-(cyclopentylmethylamino)-1,1,1-trifluoropropan-2-ol?
The InChIKey is DTETVFSLKXSQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)8(14)6-13-5-7-3-1-2-4-7/h7-8,13-14H,1-6H2.
What are the key properties of 3-(cyclopentylmethylamino)-1,1,1-trifluoropropan-2-ol?
3-(cyclopentylmethylamino)-1,1,1-trifluoropropan-2-ol has a molecular weight of 211.23 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethylamino)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 63901061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).