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

C9H10F3N — CID 131500919

IUPAC(1S)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine
SMILESN[C@@H](CC(F)F)c1cccc(F)c1
InChIInChI=1S/C9H10F3N/c10-7-3-1-2-6(4-7)8(13)5-9(11)12/h1-4,8-9H,5,13H2/t8-/m0/s1
InChIKeyPIFMTBZDYYFVSC-QMMMGPOBSA-N
MW189.18 g/mol
LogP2.48
Rot. Bonds3

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

(1S)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine (PubChem CID 131500919) has the molecular formula C9H10F3N and a molecular weight of 189.18 g/mol. Its IUPAC name is (1S)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine.

Molecular Properties

Compound Name(1S)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine
PubChem CID131500919
Molecular FormulaC9H10F3N
Molecular Weight189.18 g/mol
Exact Mass189.08
IUPAC Name(1S)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine
SMILESN[C@@H](CC(F)F)c1cccc(F)c1
InChIInChI=1S/C9H10F3N/c10-7-3-1-2-6(4-7)8(13)5-9(11)12/h1-4,8-9H,5,13H2/t8-/m0/s1
InChIKeyPIFMTBZDYYFVSC-QMMMGPOBSA-N
XLogP2.48
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

(1R)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 131566007
(1S)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171218667
(1R)-1-(3-fluorophenyl)-3-methylbutan-1-amine;hydrochloride
CID 171199148
2-(2,2-difluoroethoxy)-1-(3-fluorophenyl)ethanamine
CID 107523915
(1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171199137
1-(3-fluorophenyl)-3-methylbutane-1,4-diamine
CID 116934242
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964
(1S)-1-(3-fluorophenyl)butan-1-amine
CID 78961002
(1S)-1-(3-fluorophenyl)butane-1,4-diamine
CID 171218658
2,2-difluoro-1-(3-fluorophenyl)ethanamine
CID 79002278
1-(3-fluorophenyl)butan-1-amine;hydrochloride
CID 86262882
1-(3-fluorophenyl)-2-phenylethanamine
CID 60818791

Frequently Asked Questions

What is the IUPAC name of (1S)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine?
The IUPAC name of (1S)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine (CID 131500919) is (1S)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine.
What is the SMILES notation for (1S)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine?
The canonical SMILES for (1S)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine is N[C@@H](CC(F)F)c1cccc(F)c1.
What is the InChIKey of (1S)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine?
The InChIKey is PIFMTBZDYYFVSC-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H10F3N/c10-7-3-1-2-6(4-7)8(13)5-9(11)12/h1-4,8-9H,5,13H2/t8-/m0/s1.
What are the key properties of (1S)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine?
(1S)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine has a molecular weight of 189.18 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine is sourced from PubChem (CID 131500919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).