1-[(propan-2-ylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol

C11H20F3NO — CID 64757357

IUPAC1-[(propan-2-ylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCC(C)NCC1(O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-8(2)15-7-10(16)5-3-9(4-6-10)11(12,13)14/h8-9,15-16H,3-7H2,1-2H3
InChIKeyNXJBZBCAGSXHMX-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.47
Rot. Bonds3

About 1-[(propan-2-ylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol

1-[(propan-2-ylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 64757357) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-[(propan-2-ylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(propan-2-ylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID64757357
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name1-[(propan-2-ylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCC(C)NCC1(O)CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H20F3NO/c1-8(2)15-7-10(16)5-3-9(4-6-10)11(12,13)14/h8-9,15-16H,3-7H2,1-2H3
InChIKeyNXJBZBCAGSXHMX-UHFFFAOYSA-N
XLogP2.47
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(propan-2-ylamino)methyl]-4-(trifluoromethyl)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

Frequently Asked Questions

What is the IUPAC name of 1-[(propan-2-ylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-[(propan-2-ylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol (CID 64757357) is 1-[(propan-2-ylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-[(propan-2-ylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-[(propan-2-ylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol is CC(C)NCC1(O)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-[(propan-2-ylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is NXJBZBCAGSXHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-8(2)15-7-10(16)5-3-9(4-6-10)11(12,13)14/h8-9,15-16H,3-7H2,1-2H3.
What are the key properties of 1-[(propan-2-ylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol?
1-[(propan-2-ylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 239.28 g/mol, XLogP of 2.47, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(propan-2-ylamino)methyl]-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 64757357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).