[1-amino-4-(trifluoromethyl)cyclohexyl]methanol

C8H14F3NO — CID 64754704

IUPAC[1-amino-4-(trifluoromethyl)cyclohexyl]methanol
SMILESNC1(CO)CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)6-1-3-7(12,5-13)4-2-6/h6,13H,1-5,12H2
InChIKeyFTURDGQUENYGBY-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.43
Rot. Bonds1

About [1-amino-4-(trifluoromethyl)cyclohexyl]methanol

[1-amino-4-(trifluoromethyl)cyclohexyl]methanol (PubChem CID 64754704) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is [1-amino-4-(trifluoromethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[1-amino-4-(trifluoromethyl)cyclohexyl]methanol
PubChem CID64754704
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name[1-amino-4-(trifluoromethyl)cyclohexyl]methanol
SMILESNC1(CO)CCC(C(F)(F)F)CC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)6-1-3-7(12,5-13)4-2-6/h6,13H,1-5,12H2
InChIKeyFTURDGQUENYGBY-UHFFFAOYSA-N
XLogP1.43
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-amino-4-(trifluoromethyl)cyclohexyl]methanol?
The IUPAC name of [1-amino-4-(trifluoromethyl)cyclohexyl]methanol (CID 64754704) is [1-amino-4-(trifluoromethyl)cyclohexyl]methanol.
What is the SMILES notation for [1-amino-4-(trifluoromethyl)cyclohexyl]methanol?
The canonical SMILES for [1-amino-4-(trifluoromethyl)cyclohexyl]methanol is NC1(CO)CCC(C(F)(F)F)CC1.
What is the InChIKey of [1-amino-4-(trifluoromethyl)cyclohexyl]methanol?
The InChIKey is FTURDGQUENYGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)6-1-3-7(12,5-13)4-2-6/h6,13H,1-5,12H2.
What are the key properties of [1-amino-4-(trifluoromethyl)cyclohexyl]methanol?
[1-amino-4-(trifluoromethyl)cyclohexyl]methanol has a molecular weight of 197.20 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-amino-4-(trifluoromethyl)cyclohexyl]methanol is sourced from PubChem (CID 64754704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).