2,2-difluoro-1-(3-fluorophenyl)propan-1-amine

C9H10F3N — CID 84661885

IUPAC2,2-difluoro-1-(3-fluorophenyl)propan-1-amine
SMILESCC(F)(F)C(N)c1cccc(F)c1
InChIInChI=1S/C9H10F3N/c1-9(11,12)8(13)6-3-2-4-7(10)5-6/h2-5,8H,13H2,1H3
InChIKeyXGWFFTYIDFCSJV-UHFFFAOYSA-N
MW189.18 g/mol
LogP2.48
Rot. Bonds2

About 2,2-difluoro-1-(3-fluorophenyl)propan-1-amine

2,2-difluoro-1-(3-fluorophenyl)propan-1-amine (PubChem CID 84661885) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is 2,2-difluoro-1-(3-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-1-(3-fluorophenyl)propan-1-amine
PubChem CID84661885
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC Name2,2-difluoro-1-(3-fluorophenyl)propan-1-amine
SMILESCC(F)(F)C(N)c1cccc(F)c1
InChIInChI=1S/C9H10F3N/c1-9(11,12)8(13)6-3-2-4-7(10)5-6/h2-5,8H,13H2,1H3
InChIKeyXGWFFTYIDFCSJV-UHFFFAOYSA-N
XLogP2.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-fluorophenyl)-2-methylpropane-1,2-diamine
CID 116932697
methyl (3R)-3-amino-3-(3-fluorophenyl)-2,2-dimethylpropanoate
CID 171239221
(3R)-3-amino-2,2-difluoro-3-(3-fluorophenyl)propan-1-ol
CID 130642630
2-ethoxy-1-(3-fluorophenyl)-2-methylpropan-1-amine
CID 116726326
2-(azepan-1-yl)-1-(3-fluorophenyl)-2-methylpropan-1-amine
CID 79051086
1-(3-fluorophenyl)-2-methyl-2-pyridin-2-ylpropan-1-amine
CID 46236227
1-[(2R)-3,3-dimethylbutan-2-yl]-3-fluorobenzene
CID 168850046
1-(3-fluorophenyl)-2-methyl-2-piperazin-1-ylpropan-1-amine
CID 116946820
2-ethyl-1-(3-fluorophenyl)-2-phenylbutan-1-amine
CID 63081353
2,2-difluoro-1-(3-fluorophenyl)ethanamine
CID 79002278
(3-fluorophenyl)-methoxymethanamine
CID 116947347
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(3-fluorophenyl)propan-1-amine?
The IUPAC name of 2,2-difluoro-1-(3-fluorophenyl)propan-1-amine (CID 84661885) is 2,2-difluoro-1-(3-fluorophenyl)propan-1-amine.
What is the SMILES notation for 2,2-difluoro-1-(3-fluorophenyl)propan-1-amine?
The canonical SMILES for 2,2-difluoro-1-(3-fluorophenyl)propan-1-amine is CC(F)(F)C(N)c1cccc(F)c1.
What is the InChIKey of 2,2-difluoro-1-(3-fluorophenyl)propan-1-amine?
The InChIKey is XGWFFTYIDFCSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N/c1-9(11,12)8(13)6-3-2-4-7(10)5-6/h2-5,8H,13H2,1H3.
What are the key properties of 2,2-difluoro-1-(3-fluorophenyl)propan-1-amine?
2,2-difluoro-1-(3-fluorophenyl)propan-1-amine has a molecular weight of 189.18 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 84661885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).