1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol

C13H24F3NO — CID 116534842

IUPAC1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol
SMILESCC(CCCC(F)(F)F)NCC1(O)CCCCC1
InChIInChI=1S/C13H24F3NO/c1-11(6-5-9-13(14,15)16)17-10-12(18)7-3-2-4-8-12/h11,17-18H,2-10H2,1H3
InChIKeyRTQWSJRFFMNOEI-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.39
Rot. Bonds6

About 1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol

1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol (PubChem CID 116534842) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol
PubChem CID116534842
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol
SMILESCC(CCCC(F)(F)F)NCC1(O)CCCCC1
InChIInChI=1S/C13H24F3NO/c1-11(6-5-9-13(14,15)16)17-10-12(18)7-3-2-4-8-12/h11,17-18H,2-10H2,1H3
InChIKeyRTQWSJRFFMNOEI-UHFFFAOYSA-N
XLogP3.39
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(6,6,6-trifluorohexan-2-ylamino)methyl]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-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol (CID 116534842) is 1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol is CC(CCCC(F)(F)F)NCC1(O)CCCCC1.
What is the InChIKey of 1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is RTQWSJRFFMNOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-11(6-5-9-13(14,15)16)17-10-12(18)7-3-2-4-8-12/h11,17-18H,2-10H2,1H3.
What are the key properties of 1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol?
1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 267.33 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6,6,6-trifluorohexan-2-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 116534842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).