4-(1,1,1-trifluoropropan-2-ylamino)cyclohexan-1-ol

C9H16F3NO — CID 130609652

IUPAC4-(1,1,1-trifluoropropan-2-ylamino)cyclohexan-1-ol
SMILESCC(NC1CCC(O)CC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-6(9(10,11)12)13-7-2-4-8(14)5-3-7/h6-8,13-14H,2-5H2,1H3
InChIKeyDYPXQDHFRBUMMW-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.83
Rot. Bonds2

About 4-(1,1,1-trifluoropropan-2-ylamino)cyclohexan-1-ol

4-(1,1,1-trifluoropropan-2-ylamino)cyclohexan-1-ol (PubChem CID 130609652) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 4-(1,1,1-trifluoropropan-2-ylamino)cyclohexan-1-ol.

Molecular Properties

Compound Name4-(1,1,1-trifluoropropan-2-ylamino)cyclohexan-1-ol
PubChem CID130609652
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name4-(1,1,1-trifluoropropan-2-ylamino)cyclohexan-1-ol
SMILESCC(NC1CCC(O)CC1)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-6(9(10,11)12)13-7-2-4-8(14)5-3-7/h6-8,13-14H,2-5H2,1H3
InChIKeyDYPXQDHFRBUMMW-UHFFFAOYSA-N
XLogP1.83
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(1,1,1-trifluoropropan-2-ylamino)cyclohexan-1-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

2,2,2-Trifluoro-N-(4-hydroxycyclohexyl)acetamide
CID 59818256
4-(Methylamino)cyclohexan-1-ol
CID 11571804
4-(2-Methylpropylamino)cyclohexan-1-ol
CID 8024862
N-methyl-4-(trifluoromethoxy)cyclohexan-1-amine
CID 59453608
4-(2,2-difluoropropoxy)-N-methylcyclohexan-1-amine
CID 59453620
4-(difluoromethoxy)-N-methylcyclohexan-1-amine
CID 59453686
(1S,2R)-3,3-difluoro-2-(propan-2-ylamino)cyclohexan-1-ol
CID 59603982
(1S,2R,6S)-2-fluoro-6-(propan-2-ylamino)cyclohexan-1-ol
CID 121357671
(1S,6R)-2,2-difluoro-6-(propan-2-ylamino)cyclohexan-1-ol
CID 121357673
(1R,2R,6R)-2-fluoro-6-(propan-2-ylamino)cyclohexan-1-ol
CID 121357679
(1S,2S,6S)-2-fluoro-6-(propan-2-ylamino)cyclohexan-1-ol
CID 121357687
(1S,2S,6R)-2-(ethylamino)-6-fluorocyclohexan-1-ol
CID 121359009

Frequently Asked Questions

What is the IUPAC name of 4-(1,1,1-trifluoropropan-2-ylamino)cyclohexan-1-ol?
The IUPAC name of 4-(1,1,1-trifluoropropan-2-ylamino)cyclohexan-1-ol (CID 130609652) is 4-(1,1,1-trifluoropropan-2-ylamino)cyclohexan-1-ol.
What is the SMILES notation for 4-(1,1,1-trifluoropropan-2-ylamino)cyclohexan-1-ol?
The canonical SMILES for 4-(1,1,1-trifluoropropan-2-ylamino)cyclohexan-1-ol is CC(NC1CCC(O)CC1)C(F)(F)F.
What is the InChIKey of 4-(1,1,1-trifluoropropan-2-ylamino)cyclohexan-1-ol?
The InChIKey is DYPXQDHFRBUMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-6(9(10,11)12)13-7-2-4-8(14)5-3-7/h6-8,13-14H,2-5H2,1H3.
What are the key properties of 4-(1,1,1-trifluoropropan-2-ylamino)cyclohexan-1-ol?
4-(1,1,1-trifluoropropan-2-ylamino)cyclohexan-1-ol has a molecular weight of 211.23 g/mol, XLogP of 1.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1,1-trifluoropropan-2-ylamino)cyclohexan-1-ol is sourced from PubChem (CID 130609652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).