4-amino-1-(difluoromethyl)cyclohexan-1-ol

C7H13F2NO — CID 80605816

IUPAC4-amino-1-(difluoromethyl)cyclohexan-1-ol
SMILESNC1CCC(O)(C(F)F)CC1
InChIInChI=1S/C7H13F2NO/c8-6(9)7(11)3-1-5(10)2-4-7/h5-6,11H,1-4,10H2
InChIKeyUFGJPHYYSXKROI-UHFFFAOYSA-N
MW165.18 g/mol
LogP0.88
Rot. Bonds1

About 4-amino-1-(difluoromethyl)cyclohexan-1-ol

4-amino-1-(difluoromethyl)cyclohexan-1-ol (PubChem CID 80605816) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 4-amino-1-(difluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name4-amino-1-(difluoromethyl)cyclohexan-1-ol
PubChem CID80605816
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name4-amino-1-(difluoromethyl)cyclohexan-1-ol
SMILESNC1CCC(O)(C(F)F)CC1
InChIInChI=1S/C7H13F2NO/c8-6(9)7(11)3-1-5(10)2-4-7/h5-6,11H,1-4,10H2
InChIKeyUFGJPHYYSXKROI-UHFFFAOYSA-N
XLogP0.88
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(difluoromethyl)cyclohexan-1-ol?
The IUPAC name of 4-amino-1-(difluoromethyl)cyclohexan-1-ol (CID 80605816) is 4-amino-1-(difluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 4-amino-1-(difluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 4-amino-1-(difluoromethyl)cyclohexan-1-ol is NC1CCC(O)(C(F)F)CC1.
What is the InChIKey of 4-amino-1-(difluoromethyl)cyclohexan-1-ol?
The InChIKey is UFGJPHYYSXKROI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c8-6(9)7(11)3-1-5(10)2-4-7/h5-6,11H,1-4,10H2.
What are the key properties of 4-amino-1-(difluoromethyl)cyclohexan-1-ol?
4-amino-1-(difluoromethyl)cyclohexan-1-ol has a molecular weight of 165.18 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(difluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 80605816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).