3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol

C14H24F3NO — CID 104844751

IUPAC3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNC2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C14H24F3NO/c15-14(16,17)11-4-6-12(7-5-11)18-9-10-2-1-3-13(19)8-10/h10-13,18-19H,1-9H2
InChIKeyOFJFUMVYNJCCDX-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.25
Rot. Bonds3

About 3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol

3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol (PubChem CID 104844751) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is 3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
PubChem CID104844751
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNC2CCC(C(F)(F)F)CC2)C1
InChIInChI=1S/C14H24F3NO/c15-14(16,17)11-4-6-12(7-5-11)18-9-10-2-1-3-13(19)8-10/h10-13,18-19H,1-9H2
InChIKeyOFJFUMVYNJCCDX-UHFFFAOYSA-N
XLogP3.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[[(4-methylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 115654560
3-[[(4-propylcycloheptyl)amino]methyl]cyclohexan-1-ol
CID 106124372
3-[(thian-4-ylamino)methyl]cyclohexan-1-ol
CID 115654559
3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
CID 106124528
3-[[(4-ethylcycloheptyl)amino]methyl]cyclopentan-1-ol
CID 114146190
3-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]cyclohexan-1-ol
CID 106132527
4-[(3-hydroxycyclobutyl)methylamino]cyclohexan-1-ol
CID 106594762
3-(2-aminoethyl)-N-[[3-(trifluoromethyl)cyclohexyl]methyl]cyclopentan-1-amine
CID 147085500
3-[[[1-(2-methylpropyl)piperidin-4-yl]amino]methyl]cyclohexan-1-ol
CID 103785802
tert-butyl 3-[(3-hydroxycyclohexyl)methylamino]azetidine-1-carboxylate
CID 102672364
3-[[(1-propan-2-ylazepan-4-yl)amino]methyl]cyclohexan-1-ol
CID 106124034
3-[[(3,3-dimethylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 113263610

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol (CID 104844751) is 3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol is OC1CCCC(CNC2CCC(C(F)(F)F)CC2)C1.
What is the InChIKey of 3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is OFJFUMVYNJCCDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c15-14(16,17)11-4-6-12(7-5-11)18-9-10-2-1-3-13(19)8-10/h10-13,18-19H,1-9H2.
What are the key properties of 3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol?
3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol has a molecular weight of 279.35 g/mol, XLogP of 3.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 104844751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).