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

C9H10F3N — CID 83855474

IUPAC1,1-difluoro-1-(3-fluorophenyl)propan-2-amine
SMILESCC(N)C(F)(F)c1cccc(F)c1
InChIInChI=1S/C9H10F3N/c1-6(13)9(11,12)7-3-2-4-8(10)5-7/h2-6H,13H2,1H3
InChIKeyDJIWLOHIXDIGIF-UHFFFAOYSA-N
MW189.18 g/mol
LogP2.26
Rot. Bonds2

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

1,1-difluoro-1-(3-fluorophenyl)propan-2-amine (PubChem CID 83855474) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is 1,1-difluoro-1-(3-fluorophenyl)propan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-1-(3-fluorophenyl)propan-2-amine
PubChem CID83855474
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC Name1,1-difluoro-1-(3-fluorophenyl)propan-2-amine
SMILESCC(N)C(F)(F)c1cccc(F)c1
InChIInChI=1S/C9H10F3N/c1-6(13)9(11,12)7-3-2-4-8(10)5-7/h2-6H,13H2,1H3
InChIKeyDJIWLOHIXDIGIF-UHFFFAOYSA-N
XLogP2.26
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 ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-bromophenyl)-1,1-difluoropropan-2-amine
CID 91926944
1-[difluoro-(3-fluorophenyl)methyl]-3-fluorobenzene
CID 70952663
3,3-difluoro-4-(3-fluorophenyl)butan-2-amine
CID 105455070
chloromethane;(1R)-1-[3-(1,1-difluoro-2-methylpropyl)phenyl]ethanamine
CID 164589400
(2S)-2-amino-N-[2-(3-fluorophenyl)propan-2-yl]propanamide
CID 119330298
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
1,1-difluoro-1-(4-propan-2-ylphenyl)propan-2-amine
CID 116839228
1-bromo-1-(3-fluorophenyl)ethanol
CID 143635660
2,2-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 84661885
1-amino-1-(3-fluorophenyl)-2,3-dimethylbutane-1,4-diol
CID 23198149
CID 90170569
CID 90170569
1-[3-(1,1,2,2-tetrafluoroethyl)phenyl]propan-2-amine
CID 84727054

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-(3-fluorophenyl)propan-2-amine?
The IUPAC name of 1,1-difluoro-1-(3-fluorophenyl)propan-2-amine (CID 83855474) is 1,1-difluoro-1-(3-fluorophenyl)propan-2-amine.
What is the SMILES notation for 1,1-difluoro-1-(3-fluorophenyl)propan-2-amine?
The canonical SMILES for 1,1-difluoro-1-(3-fluorophenyl)propan-2-amine is CC(N)C(F)(F)c1cccc(F)c1.
What is the InChIKey of 1,1-difluoro-1-(3-fluorophenyl)propan-2-amine?
The InChIKey is DJIWLOHIXDIGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N/c1-6(13)9(11,12)7-3-2-4-8(10)5-7/h2-6H,13H2,1H3.
What are the key properties of 1,1-difluoro-1-(3-fluorophenyl)propan-2-amine?
1,1-difluoro-1-(3-fluorophenyl)propan-2-amine has a molecular weight of 189.18 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-(3-fluorophenyl)propan-2-amine is sourced from PubChem (CID 83855474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).