1-[2-(2,2-difluoroethyl)phenyl]ethanamine

C10H13F2N — CID 84660069

IUPAC1-[2-(2,2-difluoroethyl)phenyl]ethanamine
SMILESCC(N)c1ccccc1CC(F)F
InChIInChI=1S/C10H13F2N/c1-7(13)9-5-3-2-4-8(9)6-10(11)12/h2-5,7,10H,6,13H2,1H3
InChIKeyLKPKLUWBEIGEHC-UHFFFAOYSA-N
MW185.22 g/mol
LogP2.51
Rot. Bonds3

About 1-[2-(2,2-difluoroethyl)phenyl]ethanamine

1-[2-(2,2-difluoroethyl)phenyl]ethanamine (PubChem CID 84660069) has the molecular formula C10H13F2N and a molecular weight of 185.22 g/mol. Its IUPAC name is 1-[2-(2,2-difluoroethyl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[2-(2,2-difluoroethyl)phenyl]ethanamine
PubChem CID84660069
Molecular FormulaC10H13F2N
Molecular Weight185.22 g/mol
Exact Mass185.10
IUPAC Name1-[2-(2,2-difluoroethyl)phenyl]ethanamine
SMILESCC(N)c1ccccc1CC(F)F
InChIInChI=1S/C10H13F2N/c1-7(13)9-5-3-2-4-8(9)6-10(11)12/h2-5,7,10H,6,13H2,1H3
InChIKeyLKPKLUWBEIGEHC-UHFFFAOYSA-N
XLogP2.51
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(2,2-difluoroethyl)phenyl]propan-1-ol
CID 117289377
[2-[(1S)-1-aminoethyl]phenyl]methanol;hydrochloride
CID 162422631
1-[2-(2,2-difluoroethyl)phenyl]-N-methylpropan-2-amine
CID 84723521
(1S)-1-(2-fluorophenyl)ethanamine;hydrochloride
CID 45072320
1-[2-(1-methoxyethyl)phenyl]propan-2-amine
CID 117111257
1-(2-ethylphenyl)-2-methylpropan-1-amine
CID 55283279
2-(2,3-diaminobutyl)phenol
CID 134347246
5-[2-(1-aminoethyl)phenyl]pentan-2-one
CID 123707343
3-[2-(2,2-difluoroethyl)phenyl]propan-1-ol
CID 117289348
1-(2,3-diethylphenyl)ethanamine
CID 130066606
2-[2-(1-fluoro-2-methylpropyl)phenyl]ethanamine
CID 115020375
N-[[2-(1-aminoethyl)phenyl]methyl]cyclohexanamine
CID 70450840

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,2-difluoroethyl)phenyl]ethanamine?
The IUPAC name of 1-[2-(2,2-difluoroethyl)phenyl]ethanamine (CID 84660069) is 1-[2-(2,2-difluoroethyl)phenyl]ethanamine.
What is the SMILES notation for 1-[2-(2,2-difluoroethyl)phenyl]ethanamine?
The canonical SMILES for 1-[2-(2,2-difluoroethyl)phenyl]ethanamine is CC(N)c1ccccc1CC(F)F.
What is the InChIKey of 1-[2-(2,2-difluoroethyl)phenyl]ethanamine?
The InChIKey is LKPKLUWBEIGEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N/c1-7(13)9-5-3-2-4-8(9)6-10(11)12/h2-5,7,10H,6,13H2,1H3.
What are the key properties of 1-[2-(2,2-difluoroethyl)phenyl]ethanamine?
1-[2-(2,2-difluoroethyl)phenyl]ethanamine has a molecular weight of 185.22 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,2-difluoroethyl)phenyl]ethanamine is sourced from PubChem (CID 84660069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).