4-amino-4-(2,2,2-trifluoroethyl)cyclohexan-1-ol

C8H14F3NO — CID 130933449

IUPAC4-amino-4-(2,2,2-trifluoroethyl)cyclohexan-1-ol
SMILESNC1(CC(F)(F)F)CCC(O)CC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)5-7(12)3-1-6(13)2-4-7/h6,13H,1-5,12H2
InChIKeyWOUCUFMRYMMBJQ-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.57
Rot. Bonds1

About 4-amino-4-(2,2,2-trifluoroethyl)cyclohexan-1-ol

4-amino-4-(2,2,2-trifluoroethyl)cyclohexan-1-ol (PubChem CID 130933449) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 4-amino-4-(2,2,2-trifluoroethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-amino-4-(2,2,2-trifluoroethyl)cyclohexan-1-ol
PubChem CID130933449
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name4-amino-4-(2,2,2-trifluoroethyl)cyclohexan-1-ol
SMILESNC1(CC(F)(F)F)CCC(O)CC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)5-7(12)3-1-6(13)2-4-7/h6,13H,1-5,12H2
InChIKeyWOUCUFMRYMMBJQ-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-(2,2,2-trifluoroethyl)cyclohexan-1-ol?
The IUPAC name of 4-amino-4-(2,2,2-trifluoroethyl)cyclohexan-1-ol (CID 130933449) is 4-amino-4-(2,2,2-trifluoroethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-amino-4-(2,2,2-trifluoroethyl)cyclohexan-1-ol?
The canonical SMILES for 4-amino-4-(2,2,2-trifluoroethyl)cyclohexan-1-ol is NC1(CC(F)(F)F)CCC(O)CC1.
What is the InChIKey of 4-amino-4-(2,2,2-trifluoroethyl)cyclohexan-1-ol?
The InChIKey is WOUCUFMRYMMBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)5-7(12)3-1-6(13)2-4-7/h6,13H,1-5,12H2.
What are the key properties of 4-amino-4-(2,2,2-trifluoroethyl)cyclohexan-1-ol?
4-amino-4-(2,2,2-trifluoroethyl)cyclohexan-1-ol has a molecular weight of 197.20 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-(2,2,2-trifluoroethyl)cyclohexan-1-ol is sourced from PubChem (CID 130933449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).