3,3-difluoro-2-[(3-fluorophenyl)methyl]propan-1-amine

C10H12F3N — CID 84721552

IUPAC3,3-difluoro-2-[(3-fluorophenyl)methyl]propan-1-amine
SMILESNCC(Cc1cccc(F)c1)C(F)F
InChIInChI=1S/C10H12F3N/c11-9-3-1-2-7(5-9)4-8(6-14)10(12)13/h1-3,5,8,10H,4,6,14H2
InChIKeyNPICRVNTHRNJJW-UHFFFAOYSA-N
MW203.21 g/mol
LogP2.21
Rot. Bonds4

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

3,3-difluoro-2-[(3-fluorophenyl)methyl]propan-1-amine (PubChem CID 84721552) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 3,3-difluoro-2-[(3-fluorophenyl)methyl]propan-1-amine.

Molecular Properties

Compound Name3,3-difluoro-2-[(3-fluorophenyl)methyl]propan-1-amine
PubChem CID84721552
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name3,3-difluoro-2-[(3-fluorophenyl)methyl]propan-1-amine
SMILESNCC(Cc1cccc(F)c1)C(F)F
InChIInChI=1S/C10H12F3N/c11-9-3-1-2-7(5-9)4-8(6-14)10(12)13/h1-3,5,8,10H,4,6,14H2
InChIKeyNPICRVNTHRNJJW-UHFFFAOYSA-N
XLogP2.21
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-(3-fluorophenyl)-2-(4-fluorophenyl)propan-1-amine
CID 15014589
1-(2-ethyl-3-methylbutyl)-3-fluorobenzene
CID 139973435
2-[(3-fluorophenyl)methyl]-3-(2-methylphenyl)propan-1-amine
CID 62530380
2-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)propan-1-amine
CID 62529987
1-(2,2-dibromoethyl)-3-fluorobenzene
CID 89414969
ethane;1-fluoro-3-(2-methylpropyl)benzene
CID 142079473
2-[(2,5-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62528800
2-(3,4-difluorophenyl)-3-(3-fluorophenyl)propan-1-amine
CID 83973740
2-[(2,6-dichlorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 63496881
2-[(3,4-dimethylphenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62529396
2-[(2,3-difluorophenyl)methyl]-3-(3-fluorophenyl)propan-1-amine
CID 62530589
1-(3-bromo-2-ethylbutyl)-3-fluorobenzene
CID 63471794

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-[(3-fluorophenyl)methyl]propan-1-amine?
The IUPAC name of 3,3-difluoro-2-[(3-fluorophenyl)methyl]propan-1-amine (CID 84721552) is 3,3-difluoro-2-[(3-fluorophenyl)methyl]propan-1-amine.
What is the SMILES notation for 3,3-difluoro-2-[(3-fluorophenyl)methyl]propan-1-amine?
The canonical SMILES for 3,3-difluoro-2-[(3-fluorophenyl)methyl]propan-1-amine is NCC(Cc1cccc(F)c1)C(F)F.
What is the InChIKey of 3,3-difluoro-2-[(3-fluorophenyl)methyl]propan-1-amine?
The InChIKey is NPICRVNTHRNJJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c11-9-3-1-2-7(5-9)4-8(6-14)10(12)13/h1-3,5,8,10H,4,6,14H2.
What are the key properties of 3,3-difluoro-2-[(3-fluorophenyl)methyl]propan-1-amine?
3,3-difluoro-2-[(3-fluorophenyl)methyl]propan-1-amine has a molecular weight of 203.21 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-[(3-fluorophenyl)methyl]propan-1-amine is sourced from PubChem (CID 84721552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).