1-[3-(3,4-difluorophenyl)-4-fluorophenyl]ethanamine

C14H12F3N — CID 82541956

IUPAC1-[3-(3,4-difluorophenyl)-4-fluorophenyl]ethanamine
SMILESCC(N)c1ccc(F)c(-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C14H12F3N/c1-8(18)9-2-4-12(15)11(6-9)10-3-5-13(16)14(17)7-10/h2-8H,18H2,1H3
InChIKeyQSEJVMWXZWQXGS-UHFFFAOYSA-N
MW251.25 g/mol
LogP3.79
Rot. Bonds2

About 1-[3-(3,4-difluorophenyl)-4-fluorophenyl]ethanamine

1-[3-(3,4-difluorophenyl)-4-fluorophenyl]ethanamine (PubChem CID 82541956) has the molecular formula C14H12F3N and a molecular weight of 251.25 g/mol. Its IUPAC name is 1-[3-(3,4-difluorophenyl)-4-fluorophenyl]ethanamine.

Molecular Properties

Compound Name1-[3-(3,4-difluorophenyl)-4-fluorophenyl]ethanamine
PubChem CID82541956
Molecular FormulaC14H12F3N
Molecular Weight251.25 g/mol
Exact Mass251.09
IUPAC Name1-[3-(3,4-difluorophenyl)-4-fluorophenyl]ethanamine
SMILESCC(N)c1ccc(F)c(-c2ccc(F)c(F)c2)c1
InChIInChI=1S/C14H12F3N/c1-8(18)9-2-4-12(15)11(6-9)10-3-5-13(16)14(17)7-10/h2-8H,18H2,1H3
InChIKeyQSEJVMWXZWQXGS-UHFFFAOYSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.25
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-(2,4,5-trifluorophenyl)phenyl]ethanamine;hydrochloride
CID 168665288
4-(1-aminoethyl)-2-(4-chlorophenyl)phenol
CID 115046197
3-(3,4-difluorophenyl)-4-fluoroaniline
CID 104781175
(1S)-1-(4-fluoro-3-methylphenyl)ethanamine
CID 45072346
1-[3-(difluoromethyl)-4-fluorophenyl]ethanamine
CID 55271873
1-[4-fluoro-3-(2-methylthiophen-3-yl)phenyl]ethanamine
CID 102834395
1-[4-[2-fluoro-5-(trifluoromethoxy)phenyl]phenyl]ethanamine;hydrochloride
CID 168665296
1-[4-(2,4,6-trifluorophenyl)phenyl]ethanamine
CID 61034165
3-[4-(3,4-difluorophenyl)phenyl]butan-1-amine
CID 82542632
1-[3-(1-benzofuran-2-yl)-4-fluorophenyl]ethanamine
CID 114732154
1-[4-chloro-3-(3,5-difluorophenyl)phenyl]ethanamine
CID 82541962
1-[4-fluoro-3-(7-fluoro-1-benzofuran-2-yl)phenyl]ethanamine
CID 114732472

Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-difluorophenyl)-4-fluorophenyl]ethanamine?
The IUPAC name of 1-[3-(3,4-difluorophenyl)-4-fluorophenyl]ethanamine (CID 82541956) is 1-[3-(3,4-difluorophenyl)-4-fluorophenyl]ethanamine.
What is the SMILES notation for 1-[3-(3,4-difluorophenyl)-4-fluorophenyl]ethanamine?
The canonical SMILES for 1-[3-(3,4-difluorophenyl)-4-fluorophenyl]ethanamine is CC(N)c1ccc(F)c(-c2ccc(F)c(F)c2)c1.
What is the InChIKey of 1-[3-(3,4-difluorophenyl)-4-fluorophenyl]ethanamine?
The InChIKey is QSEJVMWXZWQXGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3N/c1-8(18)9-2-4-12(15)11(6-9)10-3-5-13(16)14(17)7-10/h2-8H,18H2,1H3.
What are the key properties of 1-[3-(3,4-difluorophenyl)-4-fluorophenyl]ethanamine?
1-[3-(3,4-difluorophenyl)-4-fluorophenyl]ethanamine has a molecular weight of 251.25 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-difluorophenyl)-4-fluorophenyl]ethanamine is sourced from PubChem (CID 82541956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).