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

C13H22F3NO — CID 64756988

IUPAC3-[[3-(trifluoromethyl)cyclohexyl]amino]cyclohexan-1-ol
SMILESOC1CCCC(NC2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)9-3-1-4-10(7-9)17-11-5-2-6-12(18)8-11/h9-12,17-18H,1-8H2
InChIKeyUNXBPRSEGDFEMJ-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.00
Rot. Bonds2

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

3-[[3-(trifluoromethyl)cyclohexyl]amino]cyclohexan-1-ol (PubChem CID 64756988) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 3-[[3-(trifluoromethyl)cyclohexyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[[3-(trifluoromethyl)cyclohexyl]amino]cyclohexan-1-ol
PubChem CID64756988
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name3-[[3-(trifluoromethyl)cyclohexyl]amino]cyclohexan-1-ol
SMILESOC1CCCC(NC2CCCC(C(F)(F)F)C2)C1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)9-3-1-4-10(7-9)17-11-5-2-6-12(18)8-11/h9-12,17-18H,1-8H2
InChIKeyUNXBPRSEGDFEMJ-UHFFFAOYSA-N
XLogP3.00
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-[[3-(Trifluoromethyl)cyclohexyl]amino]cyclohexyl]methanol
CID 121516078
3-[(4,4-Difluorocyclohexyl)amino]cyclohexan-1-ol
CID 170209590
N-(cyclohexylmethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435232
3-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine
CID 43435245
2-methyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine
CID 43435246
N-(4-methylcyclohexyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43748962
N-(1-cyclohexylethyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43791726
3-ethyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine
CID 64242586
3,5-dimethyl-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]cyclohexan-1-amine
CID 64752200
3-[[4-(Trifluoromethyl)cyclohexyl]amino]cyclohexan-1-ol
CID 64755073
2-[[4-(Trifluoromethyl)cyclohexyl]amino]cyclohexan-1-ol
CID 64755086
4-[[4-(Trifluoromethyl)cyclohexyl]amino]cyclohexan-1-ol
CID 64755256

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(trifluoromethyl)cyclohexyl]amino]cyclohexan-1-ol?
The IUPAC name of 3-[[3-(trifluoromethyl)cyclohexyl]amino]cyclohexan-1-ol (CID 64756988) is 3-[[3-(trifluoromethyl)cyclohexyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 3-[[3-(trifluoromethyl)cyclohexyl]amino]cyclohexan-1-ol?
The canonical SMILES for 3-[[3-(trifluoromethyl)cyclohexyl]amino]cyclohexan-1-ol is OC1CCCC(NC2CCCC(C(F)(F)F)C2)C1.
What is the InChIKey of 3-[[3-(trifluoromethyl)cyclohexyl]amino]cyclohexan-1-ol?
The InChIKey is UNXBPRSEGDFEMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c14-13(15,16)9-3-1-4-10(7-9)17-11-5-2-6-12(18)8-11/h9-12,17-18H,1-8H2.
What are the key properties of 3-[[3-(trifluoromethyl)cyclohexyl]amino]cyclohexan-1-ol?
3-[[3-(trifluoromethyl)cyclohexyl]amino]cyclohexan-1-ol has a molecular weight of 265.32 g/mol, XLogP of 3.00, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(trifluoromethyl)cyclohexyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 64756988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).