1-[5-(1,1-difluoroethyl)-2-fluorophenyl]ethanamine

C10H12F3N — CID 84671373

IUPAC1-[5-(1,1-difluoroethyl)-2-fluorophenyl]ethanamine
SMILESCC(N)c1cc(C(C)(F)F)ccc1F
InChIInChI=1S/C10H12F3N/c1-6(14)8-5-7(10(2,12)13)3-4-9(8)11/h3-6H,14H2,1-2H3
InChIKeyBQUCPASSLYBLOG-UHFFFAOYSA-N
MW203.21 g/mol
LogP2.96
Rot. Bonds2

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

1-[5-(1,1-difluoroethyl)-2-fluorophenyl]ethanamine (PubChem CID 84671373) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is 1-[5-(1,1-difluoroethyl)-2-fluorophenyl]ethanamine.

Molecular Properties

Compound Name1-[5-(1,1-difluoroethyl)-2-fluorophenyl]ethanamine
PubChem CID84671373
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name1-[5-(1,1-difluoroethyl)-2-fluorophenyl]ethanamine
SMILESCC(N)c1cc(C(C)(F)F)ccc1F
InChIInChI=1S/C10H12F3N/c1-6(14)8-5-7(10(2,12)13)3-4-9(8)11/h3-6H,14H2,1-2H3
InChIKeyBQUCPASSLYBLOG-UHFFFAOYSA-N
XLogP2.96
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-tert-butyl-2-fluorophenyl)ethanamine
CID 83988556
1-[4-(1,1-difluoroethyl)-2-fluorophenyl]ethanamine
CID 131609611
2-[5-(1,1-difluoroethyl)-2-fluorophenyl]propan-1-amine
CID 117309170
2-[5-(1,1-difluoroethyl)-2-fluorophenyl]-2-hydroxyacetic acid
CID 117339801
(1R)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072341
(1S)-1-(2,5-difluorophenyl)ethanamine;hydrochloride
CID 53484729
(1S)-1-(2-fluoro-5-methylphenyl)ethanamine
CID 45072344
(1S)-1-[2-fluoro-4-(trifluoromethyl)phenyl]ethanamine
CID 71074659
2-amino-1-[5-(1,1-difluoroethyl)-2-fluorophenyl]propan-1-one
CID 84694342
(1S)-1-(2-fluoro-5-iodophenyl)ethanamine
CID 131032773
2-amino-1-[5-(1,1-difluoroethyl)-2-methoxyphenyl]propan-1-ol
CID 84705080
(1R,3R)-3-amino-1-[2-fluoro-5-(trifluoromethyl)phenyl]-4,4-dimethylpentan-1-ol
CID 171237638

Frequently Asked Questions

What is the IUPAC name of 1-[5-(1,1-difluoroethyl)-2-fluorophenyl]ethanamine?
The IUPAC name of 1-[5-(1,1-difluoroethyl)-2-fluorophenyl]ethanamine (CID 84671373) is 1-[5-(1,1-difluoroethyl)-2-fluorophenyl]ethanamine.
What is the SMILES notation for 1-[5-(1,1-difluoroethyl)-2-fluorophenyl]ethanamine?
The canonical SMILES for 1-[5-(1,1-difluoroethyl)-2-fluorophenyl]ethanamine is CC(N)c1cc(C(C)(F)F)ccc1F.
What is the InChIKey of 1-[5-(1,1-difluoroethyl)-2-fluorophenyl]ethanamine?
The InChIKey is BQUCPASSLYBLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N/c1-6(14)8-5-7(10(2,12)13)3-4-9(8)11/h3-6H,14H2,1-2H3.
What are the key properties of 1-[5-(1,1-difluoroethyl)-2-fluorophenyl]ethanamine?
1-[5-(1,1-difluoroethyl)-2-fluorophenyl]ethanamine has a molecular weight of 203.21 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1,1-difluoroethyl)-2-fluorophenyl]ethanamine is sourced from PubChem (CID 84671373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).