2-amino-4,4-difluorocyclohexan-1-one

C6H9F2NO — CID 86775780

IUPAC2-amino-4,4-difluorocyclohexan-1-one
SMILESNC1CC(F)(F)CCC1=O
InChIInChI=1S/C6H9F2NO/c7-6(8)2-1-5(10)4(9)3-6/h4H,1-3,9H2
InChIKeyNTDHTSGAGLGVEY-UHFFFAOYSA-N
MW149.14 g/mol
LogP0.70
Rot. Bonds

About 2-amino-4,4-difluorocyclohexan-1-one

2-amino-4,4-difluorocyclohexan-1-one (PubChem CID 86775780) has the molecular formula C6H9F2NO and a molecular weight of 149.14 g/mol. Its IUPAC name is 2-amino-4,4-difluorocyclohexan-1-one.

Molecular Properties

Compound Name2-amino-4,4-difluorocyclohexan-1-one
PubChem CID86775780
Molecular FormulaC6H9F2NO
Molecular Weight149.14 g/mol
Exact Mass149.07
IUPAC Name2-amino-4,4-difluorocyclohexan-1-one
SMILESNC1CC(F)(F)CCC1=O
InChIInChI=1S/C6H9F2NO/c7-6(8)2-1-5(10)4(9)3-6/h4H,1-3,9H2
InChIKeyNTDHTSGAGLGVEY-UHFFFAOYSA-N
XLogP0.70
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.14
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4,4-difluorocyclohexan-1-one?
The IUPAC name of 2-amino-4,4-difluorocyclohexan-1-one (CID 86775780) is 2-amino-4,4-difluorocyclohexan-1-one.
What is the SMILES notation for 2-amino-4,4-difluorocyclohexan-1-one?
The canonical SMILES for 2-amino-4,4-difluorocyclohexan-1-one is NC1CC(F)(F)CCC1=O.
What is the InChIKey of 2-amino-4,4-difluorocyclohexan-1-one?
The InChIKey is NTDHTSGAGLGVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO/c7-6(8)2-1-5(10)4(9)3-6/h4H,1-3,9H2.
What are the key properties of 2-amino-4,4-difluorocyclohexan-1-one?
2-amino-4,4-difluorocyclohexan-1-one has a molecular weight of 149.14 g/mol, XLogP of 0.70, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4,4-difluorocyclohexan-1-one is sourced from PubChem (CID 86775780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).