2-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol

C14H24F3NO — CID 64927246

IUPAC2-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H24F3NO/c15-14(16,17)11-5-3-6-12(8-11)18-9-10-4-1-2-7-13(10)19/h10-13,18-19H,1-9H2
InChIKeyOSBOGTRZFWTYDB-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.25
Rot. Bonds3

About 2-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol

2-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol (PubChem CID 64927246) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is 2-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
PubChem CID64927246
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name2-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNC1CCCC(C(F)(F)F)C1
InChIInChI=1S/C14H24F3NO/c15-14(16,17)11-5-3-6-12(8-11)18-9-10-4-1-2-7-13(10)19/h10-13,18-19H,1-9H2
InChIKeyOSBOGTRZFWTYDB-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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Frequently Asked Questions

What is the IUPAC name of 2-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol (CID 64927246) is 2-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol is OC1CCCCC1CNC1CCCC(C(F)(F)F)C1.
What is the InChIKey of 2-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol?
The InChIKey is OSBOGTRZFWTYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c15-14(16,17)11-5-3-6-12(8-11)18-9-10-4-1-2-7-13(10)19/h10-13,18-19H,1-9H2.
What are the key properties of 2-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol?
2-[[[3-(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 2-[[[3-(trifluoromethyl)cyclohexyl]amino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64927246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).