3,3-difluoro-4-(3-fluorophenyl)butan-2-amine

C10H12F3N — CID 105455070

IUPAC3,3-difluoro-4-(3-fluorophenyl)butan-2-amine
SMILESCC(N)C(F)(F)Cc1cccc(F)c1
InChIInChI=1S/C10H12F3N/c1-7(14)10(12,13)6-8-3-2-4-9(11)5-8/h2-5,7H,6,14H2,1H3
InChIKeyAFHQGKPVXPAUQO-UHFFFAOYSA-N
MW203.21 g/mol
LogP2.35
Rot. Bonds3

About 3,3-difluoro-4-(3-fluorophenyl)butan-2-amine

3,3-difluoro-4-(3-fluorophenyl)butan-2-amine (PubChem CID 105455070) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 3,3-difluoro-4-(3-fluorophenyl)butan-2-amine.

Molecular Properties

Compound Name3,3-difluoro-4-(3-fluorophenyl)butan-2-amine
PubChem CID105455070
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name3,3-difluoro-4-(3-fluorophenyl)butan-2-amine
SMILESCC(N)C(F)(F)Cc1cccc(F)c1
InChIInChI=1S/C10H12F3N/c1-7(14)10(12,13)6-8-3-2-4-9(11)5-8/h2-5,7H,6,14H2,1H3
InChIKeyAFHQGKPVXPAUQO-UHFFFAOYSA-N
XLogP2.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluorophenyl)-2,3-dimethylbutan-2-ol
CID 60798491
azane;1-(2,2-dimethylpropyl)-3-fluorobenzene
CID 174720332
(2R)-4-(3-fluorophenyl)butan-2-amine
CID 22831507
1-(3-fluorophenyl)-2-methyl-3-phenylpropan-2-amine
CID 115608470
3-ethyl-1-(3-fluorophenyl)-2-methylpentan-2-amine
CID 114833983
1,1-difluoro-1-(3-fluorophenyl)propan-2-amine
CID 83855474
5-(3-fluorophenyl)-4-methylpentan-2-amine
CID 64719620
1,2-bis(3-fluorophenyl)propan-2-amine
CID 60799225
2,2-difluoro-3-(3-fluorophenyl)-N-methylpropan-1-amine
CID 105455069
1-(3-fluorophenyl)-3-propan-2-yloxypropan-2-amine
CID 79574359
ethane;1-fluoro-3-(2-methylpropyl)benzene
CID 142079473
2-N-ethyl-3-(3-fluorophenyl)-2-methyl-2-N-propan-2-ylpropane-1,2-diamine
CID 114831044

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-4-(3-fluorophenyl)butan-2-amine?
The IUPAC name of 3,3-difluoro-4-(3-fluorophenyl)butan-2-amine (CID 105455070) is 3,3-difluoro-4-(3-fluorophenyl)butan-2-amine.
What is the SMILES notation for 3,3-difluoro-4-(3-fluorophenyl)butan-2-amine?
The canonical SMILES for 3,3-difluoro-4-(3-fluorophenyl)butan-2-amine is CC(N)C(F)(F)Cc1cccc(F)c1.
What is the InChIKey of 3,3-difluoro-4-(3-fluorophenyl)butan-2-amine?
The InChIKey is AFHQGKPVXPAUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-7(14)10(12,13)6-8-3-2-4-9(11)5-8/h2-5,7H,6,14H2,1H3.
What are the key properties of 3,3-difluoro-4-(3-fluorophenyl)butan-2-amine?
3,3-difluoro-4-(3-fluorophenyl)butan-2-amine has a molecular weight of 203.21 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-4-(3-fluorophenyl)butan-2-amine is sourced from PubChem (CID 105455070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).