2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclohexan-1-ol

C13H22F3NO — CID 64755086

IUPAC2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclohexan-1-ol
SMILESOC1CCCCC1NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)9-5-7-10(8-6-9)17-11-3-1-2-4-12(11)18/h9-12,17-18H,1-8H2
InChIKeyCAFCTQLDDCZAEV-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.00
Rot. Bonds2

About 2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclohexan-1-ol

2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclohexan-1-ol (PubChem CID 64755086) has the molecular formula C13H22F3NO and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclohexan-1-ol
PubChem CID64755086
Molecular FormulaC13H22F3NO
Molecular Weight265.32 g/mol
Exact Mass265.17
IUPAC Name2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclohexan-1-ol
SMILESOC1CCCCC1NC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C13H22F3NO/c14-13(15,16)9-5-7-10(8-6-9)17-11-3-1-2-4-12(11)18/h9-12,17-18H,1-8H2
InChIKeyCAFCTQLDDCZAEV-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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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclohexan-1-ol (CID 64755086) is 2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclohexan-1-ol is OC1CCCCC1NC1CCC(C(F)(F)F)CC1.
What is the InChIKey of 2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclohexan-1-ol?
The InChIKey is CAFCTQLDDCZAEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3NO/c14-13(15,16)9-5-7-10(8-6-9)17-11-3-1-2-4-12(11)18/h9-12,17-18H,1-8H2.
What are the key properties of 2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclohexan-1-ol?
2-[[4-(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 2-[[4-(trifluoromethyl)cyclohexyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 64755086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).