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

C14H26F3NO — CID 106114865

IUPAC3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNC1CCCCC1C(F)(F)F
InChIInChI=1S/C14H26F3NO/c1-2-5-11(8-9-19)10-18-13-7-4-3-6-12(13)14(15,16)17/h11-13,18-19H,2-10H2,1H3
InChIKeyONCMTRGBKIAFHH-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.50
Rot. Bonds7

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

3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]hexan-1-ol (PubChem CID 106114865) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]hexan-1-ol
PubChem CID106114865
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNC1CCCCC1C(F)(F)F
InChIInChI=1S/C14H26F3NO/c1-2-5-11(8-9-19)10-18-13-7-4-3-6-12(13)14(15,16)17/h11-13,18-19H,2-10H2,1H3
InChIKeyONCMTRGBKIAFHH-UHFFFAOYSA-N
XLogP3.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]hexan-1-ol (CID 106114865) is 3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]hexan-1-ol is CCCC(CCO)CNC1CCCCC1C(F)(F)F.
What is the InChIKey of 3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]hexan-1-ol?
The InChIKey is ONCMTRGBKIAFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-2-5-11(8-9-19)10-18-13-7-4-3-6-12(13)14(15,16)17/h11-13,18-19H,2-10H2,1H3.
What are the key properties of 3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]hexan-1-ol?
3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]hexan-1-ol has a molecular weight of 281.36 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]hexan-1-ol is sourced from PubChem (CID 106114865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).