3-(4-aminocyclohexyl)-1,1,1-trifluoropropan-2-ol

C9H16F3NO — CID 54069912

IUPAC3-(4-aminocyclohexyl)-1,1,1-trifluoropropan-2-ol
SMILESNC1CCC(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)8(14)5-6-1-3-7(13)4-2-6/h6-8,14H,1-5,13H2
InChIKeyMFRSIDRIZGQSSZ-UHFFFAOYSA-N
MW211.23 g/mol
LogP1.82
Rot. Bonds2

About 3-(4-aminocyclohexyl)-1,1,1-trifluoropropan-2-ol

3-(4-aminocyclohexyl)-1,1,1-trifluoropropan-2-ol (PubChem CID 54069912) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 3-(4-aminocyclohexyl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(4-aminocyclohexyl)-1,1,1-trifluoropropan-2-ol
PubChem CID54069912
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name3-(4-aminocyclohexyl)-1,1,1-trifluoropropan-2-ol
SMILESNC1CCC(CC(O)C(F)(F)F)CC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)8(14)5-6-1-3-7(13)4-2-6/h6-8,14H,1-5,13H2
InChIKeyMFRSIDRIZGQSSZ-UHFFFAOYSA-N
XLogP1.82
TPSA46.25 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 ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-(4-aminocyclohexyl)-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

(2S)-2-amino-3-cyclohexylpropan-1-ol
CID 444569
2-Amino-1-cyclohexylethan-1-ol
CID 11990554
2-Amino-3-cyclohexylpropan-1-ol
CID 4068950
3-Amino-3-cyclohexylpropan-1-ol
CID 17039367
3-Amino-4-cyclohexyl-1,1,1-trifluorobutan-2-ol
CID 4337613
(1R)-2-amino-1-cyclohexylethan-1-ol
CID 14178860
(R)-2-Amino-3-cyclohexylpropan-1-ol
CID 40432407
(1S)-2-amino-1-cyclohexylethan-1-ol
CID 51652315
4-(2-Aminopropyl)cyclohexan-1-ol--hydrogen bromide (1/1)
CID 115666
(2R)-2-amino-2-cyclohexylethan-1-ol
CID 13617488
Rac-2-((1r,4r)-4-aminocyclohexyl)ethan-1-ol
CID 21312787
1-(4-Aminocyclohexyl)ethan-1-ol hydrochloride
CID 69246718

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminocyclohexyl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(4-aminocyclohexyl)-1,1,1-trifluoropropan-2-ol (CID 54069912) is 3-(4-aminocyclohexyl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(4-aminocyclohexyl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(4-aminocyclohexyl)-1,1,1-trifluoropropan-2-ol is NC1CCC(CC(O)C(F)(F)F)CC1.
What is the InChIKey of 3-(4-aminocyclohexyl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is MFRSIDRIZGQSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)8(14)5-6-1-3-7(13)4-2-6/h6-8,14H,1-5,13H2.
What are the key properties of 3-(4-aminocyclohexyl)-1,1,1-trifluoropropan-2-ol?
3-(4-aminocyclohexyl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 211.23 g/mol, XLogP of 1.82, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminocyclohexyl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 54069912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).