[1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexyl]methanol

C15H26F3NO — CID 81412469

IUPAC[1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexyl]methanol
SMILESOCC1(CNC2CCCC(C(F)(F)F)C2)CCCCC1
InChIInChI=1S/C15H26F3NO/c16-15(17,18)12-5-4-6-13(9-12)19-10-14(11-20)7-2-1-3-8-14/h12-13,19-20H,1-11H2
InChIKeyKDTSPMLWFAFMIN-UHFFFAOYSA-N
MW293.37 g/mol
LogP3.64
Rot. Bonds4

About [1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexyl]methanol

[1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexyl]methanol (PubChem CID 81412469) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is [1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexyl]methanol
PubChem CID81412469
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC Name[1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexyl]methanol
SMILESOCC1(CNC2CCCC(C(F)(F)F)C2)CCCCC1
InChIInChI=1S/C15H26F3NO/c16-15(17,18)12-5-4-6-13(9-12)19-10-14(11-20)7-2-1-3-8-14/h12-13,19-20H,1-11H2
InChIKeyKDTSPMLWFAFMIN-UHFFFAOYSA-N
XLogP3.64
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexyl]methanol (CID 81412469) is [1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexyl]methanol is OCC1(CNC2CCCC(C(F)(F)F)C2)CCCCC1.
What is the InChIKey of [1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexyl]methanol?
The InChIKey is KDTSPMLWFAFMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c16-15(17,18)12-5-4-6-13(9-12)19-10-14(11-20)7-2-1-3-8-14/h12-13,19-20H,1-11H2.
What are the key properties of [1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexyl]methanol?
[1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexyl]methanol has a molecular weight of 293.37 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 81412469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).