4-amino-1-(1,1-difluoroethyl)cyclohexan-1-ol

C8H15F2NO — CID 163294949

IUPAC4-amino-1-(1,1-difluoroethyl)cyclohexan-1-ol
SMILESCC(F)(F)C1(O)CCC(N)CC1
InChIInChI=1S/C8H15F2NO/c1-7(9,10)8(12)4-2-6(11)3-5-8/h6,12H,2-5,11H2,1H3
InChIKeyOOBFSYUDIGUEJI-UHFFFAOYSA-N
MW179.21 g/mol
LogP1.27
Rot. Bonds1

About 4-amino-1-(1,1-difluoroethyl)cyclohexan-1-ol

4-amino-1-(1,1-difluoroethyl)cyclohexan-1-ol (PubChem CID 163294949) has the molecular formula C8H15F2NO and a molecular weight of 179.21 g/mol. Its IUPAC name is 4-amino-1-(1,1-difluoroethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-amino-1-(1,1-difluoroethyl)cyclohexan-1-ol
PubChem CID163294949
Molecular FormulaC8H15F2NO
Molecular Weight179.21 g/mol
Exact Mass179.11
IUPAC Name4-amino-1-(1,1-difluoroethyl)cyclohexan-1-ol
SMILESCC(F)(F)C1(O)CCC(N)CC1
InChIInChI=1S/C8H15F2NO/c1-7(9,10)8(12)4-2-6(11)3-5-8/h6,12H,2-5,11H2,1H3
InChIKeyOOBFSYUDIGUEJI-UHFFFAOYSA-N
XLogP1.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.21
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1,1-difluoroethyl)cyclohexan-1-ol?
The IUPAC name of 4-amino-1-(1,1-difluoroethyl)cyclohexan-1-ol (CID 163294949) is 4-amino-1-(1,1-difluoroethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-amino-1-(1,1-difluoroethyl)cyclohexan-1-ol?
The canonical SMILES for 4-amino-1-(1,1-difluoroethyl)cyclohexan-1-ol is CC(F)(F)C1(O)CCC(N)CC1.
What is the InChIKey of 4-amino-1-(1,1-difluoroethyl)cyclohexan-1-ol?
The InChIKey is OOBFSYUDIGUEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO/c1-7(9,10)8(12)4-2-6(11)3-5-8/h6,12H,2-5,11H2,1H3.
What are the key properties of 4-amino-1-(1,1-difluoroethyl)cyclohexan-1-ol?
4-amino-1-(1,1-difluoroethyl)cyclohexan-1-ol has a molecular weight of 179.21 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1,1-difluoroethyl)cyclohexan-1-ol is sourced from PubChem (CID 163294949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).