1-(1-amino-4,4-difluorocyclohexyl)butan-1-one

C10H17F2NO — CID 144802624

IUPAC1-(1-amino-4,4-difluorocyclohexyl)butan-1-one
SMILESCCCC(=O)C1(N)CCC(F)(F)CC1
InChIInChI=1S/C10H17F2NO/c1-2-3-8(14)9(13)4-6-10(11,12)7-5-9/h2-7,13H2,1H3
InChIKeyJYEKSDNOFCLMAI-UHFFFAOYSA-N
MW205.25 g/mol
LogP2.26
Rot. Bonds3

About 1-(1-amino-4,4-difluorocyclohexyl)butan-1-one

1-(1-amino-4,4-difluorocyclohexyl)butan-1-one (PubChem CID 144802624) has the molecular formula C10H17F2NO and a molecular weight of 205.25 g/mol. Its IUPAC name is 1-(1-amino-4,4-difluorocyclohexyl)butan-1-one.

Molecular Properties

Compound Name1-(1-amino-4,4-difluorocyclohexyl)butan-1-one
PubChem CID144802624
Molecular FormulaC10H17F2NO
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name1-(1-amino-4,4-difluorocyclohexyl)butan-1-one
SMILESCCCC(=O)C1(N)CCC(F)(F)CC1
InChIInChI=1S/C10H17F2NO/c1-2-3-8(14)9(13)4-6-10(11,12)7-5-9/h2-7,13H2,1H3
InChIKeyJYEKSDNOFCLMAI-UHFFFAOYSA-N
XLogP2.26
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-4,4-difluorocyclohexyl)butan-1-one?
The IUPAC name of 1-(1-amino-4,4-difluorocyclohexyl)butan-1-one (CID 144802624) is 1-(1-amino-4,4-difluorocyclohexyl)butan-1-one.
What is the SMILES notation for 1-(1-amino-4,4-difluorocyclohexyl)butan-1-one?
The canonical SMILES for 1-(1-amino-4,4-difluorocyclohexyl)butan-1-one is CCCC(=O)C1(N)CCC(F)(F)CC1.
What is the InChIKey of 1-(1-amino-4,4-difluorocyclohexyl)butan-1-one?
The InChIKey is JYEKSDNOFCLMAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO/c1-2-3-8(14)9(13)4-6-10(11,12)7-5-9/h2-7,13H2,1H3.
What are the key properties of 1-(1-amino-4,4-difluorocyclohexyl)butan-1-one?
1-(1-amino-4,4-difluorocyclohexyl)butan-1-one has a molecular weight of 205.25 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-4,4-difluorocyclohexyl)butan-1-one is sourced from PubChem (CID 144802624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).