2,2-difluoro-1-(3-fluorophenyl)ethanamine

C8H8F3N — CID 79002278

IUPAC2,2-difluoro-1-(3-fluorophenyl)ethanamine
SMILESNC(c1cccc(F)c1)C(F)F
InChIInChI=1S/C8H8F3N/c9-6-3-1-2-5(4-6)7(12)8(10)11/h1-4,7-8H,12H2
InChIKeyYGJMOQTWRJAIDH-UHFFFAOYSA-N
MW175.15 g/mol
LogP2.09
Rot. Bonds2

About 2,2-difluoro-1-(3-fluorophenyl)ethanamine

2,2-difluoro-1-(3-fluorophenyl)ethanamine (PubChem CID 79002278) has the molecular formula C8H8F3N and a molecular weight of 175.15 g/mol. Its IUPAC name is 2,2-difluoro-1-(3-fluorophenyl)ethanamine.

Molecular Properties

Compound Name2,2-difluoro-1-(3-fluorophenyl)ethanamine
PubChem CID79002278
Molecular FormulaC8H8F3N
Molecular Weight175.15 g/mol
Exact Mass175.06
IUPAC Name2,2-difluoro-1-(3-fluorophenyl)ethanamine
SMILESNC(c1cccc(F)c1)C(F)F
InChIInChI=1S/C8H8F3N/c9-6-3-1-2-5(4-6)7(12)8(10)11/h1-4,7-8H,12H2
InChIKeyYGJMOQTWRJAIDH-UHFFFAOYSA-N
XLogP2.09
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.15
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-2,2-difluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171245936
1-(3-fluorophenyl)-2-methoxypropan-1-amine
CID 79616556
3-[(1S)-1-amino-2,2-difluoroethyl]phenol
CID 130987764
(1S)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 131500919
(1R)-3,3-difluoro-1-(3-fluorophenyl)propan-1-amine
CID 131566007
(1S,2R)-1-amino-1-(3-fluorophenyl)-3-methylbutan-2-ol;hydrochloride
CID 171161576
(1R,2S)-1-amino-1-(3-fluorophenyl)butan-2-ol
CID 131021466
3-[(1R)-1-amino-2,2-difluoroethyl]phenol;hydrochloride
CID 171238999
(1S)-2-fluoro-1-(3-fluorophenyl)ethanamine;hydrochloride
CID 171199137
(1R,2S)-1-amino-1-(3-fluorophenyl)-4-methylpentan-2-ol
CID 171160142
(3-fluorophenyl)-methoxymethanamine
CID 116947347
(1S)-1-(3-fluorophenyl)propan-1-amine
CID 40786964

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-(3-fluorophenyl)ethanamine?
The IUPAC name of 2,2-difluoro-1-(3-fluorophenyl)ethanamine (CID 79002278) is 2,2-difluoro-1-(3-fluorophenyl)ethanamine.
What is the SMILES notation for 2,2-difluoro-1-(3-fluorophenyl)ethanamine?
The canonical SMILES for 2,2-difluoro-1-(3-fluorophenyl)ethanamine is NC(c1cccc(F)c1)C(F)F.
What is the InChIKey of 2,2-difluoro-1-(3-fluorophenyl)ethanamine?
The InChIKey is YGJMOQTWRJAIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N/c9-6-3-1-2-5(4-6)7(12)8(10)11/h1-4,7-8H,12H2.
What are the key properties of 2,2-difluoro-1-(3-fluorophenyl)ethanamine?
2,2-difluoro-1-(3-fluorophenyl)ethanamine has a molecular weight of 175.15 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-(3-fluorophenyl)ethanamine is sourced from PubChem (CID 79002278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).