2-[5-(1,1-difluoroethyl)-2-fluorophenyl]propan-1-amine

C11H14F3N — CID 117309170

IUPAC2-[5-(1,1-difluoroethyl)-2-fluorophenyl]propan-1-amine
SMILESCC(CN)c1cc(C(C)(F)F)ccc1F
InChIInChI=1S/C11H14F3N/c1-7(6-15)9-5-8(11(2,13)14)3-4-10(9)12/h3-5,7H,6,15H2,1-2H3
InChIKeyUOZLJLKGWYNLBY-UHFFFAOYSA-N
MW217.23 g/mol
LogP3.00
Rot. Bonds3

About 2-[5-(1,1-difluoroethyl)-2-fluorophenyl]propan-1-amine

2-[5-(1,1-difluoroethyl)-2-fluorophenyl]propan-1-amine (PubChem CID 117309170) has the molecular formula C11H14F3N and a molecular weight of 217.23 g/mol. Its IUPAC name is 2-[5-(1,1-difluoroethyl)-2-fluorophenyl]propan-1-amine.

Molecular Properties

Compound Name2-[5-(1,1-difluoroethyl)-2-fluorophenyl]propan-1-amine
PubChem CID117309170
Molecular FormulaC11H14F3N
Molecular Weight217.23 g/mol
Exact Mass217.11
IUPAC Name2-[5-(1,1-difluoroethyl)-2-fluorophenyl]propan-1-amine
SMILESCC(CN)c1cc(C(C)(F)F)ccc1F
InChIInChI=1S/C11H14F3N/c1-7(6-15)9-5-8(11(2,13)14)3-4-10(9)12/h3-5,7H,6,15H2,1-2H3
InChIKeyUOZLJLKGWYNLBY-UHFFFAOYSA-N
XLogP3.00
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[5-(1,1-difluoroethyl)-2-fluorophenyl]ethanamine
CID 84671373
1-[4-(1,1-difluoroethyl)-2-fluorophenyl]ethanamine
CID 131609611
3-[2-chloro-4-(1,1-difluoroethyl)phenyl]butan-1-amine
CID 117372520
1-(5-tert-butyl-2-fluorophenyl)ethanamine
CID 83988556
2-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-hydroxyacetic acid
CID 117339801
2-amino-1-[5-(1,1-difluoroethyl)-2-fluorophenyl]propan-1-one
CID 84694342
2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]propan-1-amine
CID 117330427
(1S)-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4-methylpentan-1-amine;hydrochloride
CID 171229157
2-(1-aminopropan-2-yl)-4-(2,4,4-trimethylpentan-2-yl)phenol
CID 117413896
(1R)-1-[2-fluoro-5-(trifluoromethyl)phenyl]butane-1,4-diamine
CID 171209518
(3S)-3-amino-3-[2-fluoro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-ol;hydrochloride
CID 171242854
2-[5-(2-fluoropropan-2-yl)-2,3-dimethoxyphenyl]propan-1-amine
CID 117391698

Frequently Asked Questions

What is the IUPAC name of 2-[5-(1,1-difluoroethyl)-2-fluorophenyl]propan-1-amine?
The IUPAC name of 2-[5-(1,1-difluoroethyl)-2-fluorophenyl]propan-1-amine (CID 117309170) is 2-[5-(1,1-difluoroethyl)-2-fluorophenyl]propan-1-amine.
What is the SMILES notation for 2-[5-(1,1-difluoroethyl)-2-fluorophenyl]propan-1-amine?
The canonical SMILES for 2-[5-(1,1-difluoroethyl)-2-fluorophenyl]propan-1-amine is CC(CN)c1cc(C(C)(F)F)ccc1F.
What is the InChIKey of 2-[5-(1,1-difluoroethyl)-2-fluorophenyl]propan-1-amine?
The InChIKey is UOZLJLKGWYNLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3N/c1-7(6-15)9-5-8(11(2,13)14)3-4-10(9)12/h3-5,7H,6,15H2,1-2H3.
What are the key properties of 2-[5-(1,1-difluoroethyl)-2-fluorophenyl]propan-1-amine?
2-[5-(1,1-difluoroethyl)-2-fluorophenyl]propan-1-amine has a molecular weight of 217.23 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(1,1-difluoroethyl)-2-fluorophenyl]propan-1-amine is sourced from PubChem (CID 117309170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).