1-(3-chlorophenyl)-3,3-difluorobutan-2-amine

C10H12ClF2N — CID 84685245

IUPAC1-(3-chlorophenyl)-3,3-difluorobutan-2-amine
SMILESCC(F)(F)C(N)Cc1cccc(Cl)c1
InChIInChI=1S/C10H12ClF2N/c1-10(12,13)9(14)6-7-3-2-4-8(11)5-7/h2-5,9H,6,14H2,1H3
InChIKeyRSXMMLAKXQKNPF-UHFFFAOYSA-N
MW219.66 g/mol
LogP2.87
Rot. Bonds3

About 1-(3-chlorophenyl)-3,3-difluorobutan-2-amine

1-(3-chlorophenyl)-3,3-difluorobutan-2-amine (PubChem CID 84685245) has the molecular formula C10H12ClF2N and a molecular weight of 219.66 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-3,3-difluorobutan-2-amine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-3,3-difluorobutan-2-amine
PubChem CID84685245
Molecular FormulaC10H12ClF2N
Molecular Weight219.66 g/mol
Exact Mass219.06
IUPAC Name1-(3-chlorophenyl)-3,3-difluorobutan-2-amine
SMILESCC(F)(F)C(N)Cc1cccc(Cl)c1
InChIInChI=1S/C10H12ClF2N/c1-10(12,13)9(14)6-7-3-2-4-8(11)5-7/h2-5,9H,6,14H2,1H3
InChIKeyRSXMMLAKXQKNPF-UHFFFAOYSA-N
XLogP2.87
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.66
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-amino-1-(3-chlorophenyl)butan-2-ol
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3,3-dimethyl-1-[3-(trifluoromethyl)phenyl]butan-2-amine
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1-chloro-3-(3-chloro-2-methylpropyl)benzene
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Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-3,3-difluorobutan-2-amine?
The IUPAC name of 1-(3-chlorophenyl)-3,3-difluorobutan-2-amine (CID 84685245) is 1-(3-chlorophenyl)-3,3-difluorobutan-2-amine.
What is the SMILES notation for 1-(3-chlorophenyl)-3,3-difluorobutan-2-amine?
The canonical SMILES for 1-(3-chlorophenyl)-3,3-difluorobutan-2-amine is CC(F)(F)C(N)Cc1cccc(Cl)c1.
What is the InChIKey of 1-(3-chlorophenyl)-3,3-difluorobutan-2-amine?
The InChIKey is RSXMMLAKXQKNPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClF2N/c1-10(12,13)9(14)6-7-3-2-4-8(11)5-7/h2-5,9H,6,14H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-3,3-difluorobutan-2-amine?
1-(3-chlorophenyl)-3,3-difluorobutan-2-amine has a molecular weight of 219.66 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-3,3-difluorobutan-2-amine is sourced from PubChem (CID 84685245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).