1,1,1-trifluoro-3-[(2-methylcyclopentyl)amino]propan-2-ol

C9H16F3NO — CID 63899444

IUPAC1,1,1-trifluoro-3-[(2-methylcyclopentyl)amino]propan-2-ol
SMILESCC1CCCC1NCC(O)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-6-3-2-4-7(6)13-5-8(14)9(10,11)12/h6-8,13-14H,2-5H2,1H3
InChIKeyUQKOTLKQBHMBBJ-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.69
Rot. Bonds3

About 1,1,1-trifluoro-3-[(2-methylcyclopentyl)amino]propan-2-ol

1,1,1-trifluoro-3-[(2-methylcyclopentyl)amino]propan-2-ol (PubChem CID 63899444) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(2-methylcyclopentyl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(2-methylcyclopentyl)amino]propan-2-ol
PubChem CID63899444
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name1,1,1-trifluoro-3-[(2-methylcyclopentyl)amino]propan-2-ol
SMILESCC1CCCC1NCC(O)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-6-3-2-4-7(6)13-5-8(14)9(10,11)12/h6-8,13-14H,2-5H2,1H3
InChIKeyUQKOTLKQBHMBBJ-UHFFFAOYSA-N
XLogP1.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

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Related Compounds

1,1,1-Trifluoro-3-[[2-(hydroxymethyl)-2-methylcyclopentyl]amino]propan-2-ol
CID 102562975
1,1,1-Trifluoro-3-(6-methyloctylamino)propan-2-ol
CID 89935850
(2R)-1,1,1-trifluoro-3-[(4-methylcyclohexyl)amino]propan-2-ol
CID 126558146
2-[Methyl-[2-[3-(trifluoromethyl)pyrrolidin-2-yl]ethyl]amino]ethanol
CID 172335247
2-[[(1R,2R)-2-methylcyclopentyl]amino]ethanol
CID 95377443
3-[(4-Ethylcyclohexyl)amino]-1,1,1-trifluoropropan-2-ol
CID 61529999
1,1,1-Trifluoro-3-[(4-propylcyclohexyl)amino]propan-2-ol
CID 61530000
1,1,1-Trifluoro-3-[(2-methylcyclohexyl)amino]propan-2-ol
CID 61530002
1,1,1-Trifluoro-3-[(3-methylcyclohexyl)amino]propan-2-ol
CID 61530039
2-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 63277814
1,1,1-Trifluoro-3-(hexan-2-ylamino)propan-2-ol
CID 63899438
1,1,1-Trifluoro-3-[3-[1-(methylamino)ethyl]piperidin-1-yl]propan-2-ol
CID 63899983

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(2-methylcyclopentyl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(2-methylcyclopentyl)amino]propan-2-ol (CID 63899444) is 1,1,1-trifluoro-3-[(2-methylcyclopentyl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(2-methylcyclopentyl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(2-methylcyclopentyl)amino]propan-2-ol is CC1CCCC1NCC(O)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[(2-methylcyclopentyl)amino]propan-2-ol?
The InChIKey is UQKOTLKQBHMBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-6-3-2-4-7(6)13-5-8(14)9(10,11)12/h6-8,13-14H,2-5H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[(2-methylcyclopentyl)amino]propan-2-ol?
1,1,1-trifluoro-3-[(2-methylcyclopentyl)amino]propan-2-ol has a molecular weight of 211.23 g/mol, XLogP of 1.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(2-methylcyclopentyl)amino]propan-2-ol is sourced from PubChem (CID 63899444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).