1,3,3-trifluoroprop-2-enylbenzene

C9H7F3 — CID 175493614

IUPAC1,3,3-trifluoroprop-2-enylbenzene
SMILESFC(F)=CC(F)c1ccccc1
InChIInChI=1S/C9H7F3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-6,8H
InChIKeyYLYAHARIFZMCQB-UHFFFAOYSA-N
MW172.15 g/mol
LogP3.48
Rot. Bonds2

About 1,3,3-trifluoroprop-2-enylbenzene

1,3,3-trifluoroprop-2-enylbenzene (PubChem CID 175493614) has the molecular formula C9H7F3 and a molecular weight of 172.15 g/mol. Its IUPAC name is 1,3,3-trifluoroprop-2-enylbenzene.

Molecular Properties

Compound Name1,3,3-trifluoroprop-2-enylbenzene
PubChem CID175493614
Molecular FormulaC9H7F3
Molecular Weight172.15 g/mol
Exact Mass172.05
IUPAC Name1,3,3-trifluoroprop-2-enylbenzene
SMILESFC(F)=CC(F)c1ccccc1
InChIInChI=1S/C9H7F3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-6,8H
InChIKeyYLYAHARIFZMCQB-UHFFFAOYSA-N
XLogP3.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.15
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N,2-difluoro-2-phenylethanimine
CID 23233276
[fluoro(fluoro)methyl]benzene
CID 146164458
(1R)-2,2-difluoro-1-phenylethanol
CID 12955760
(2S)-2-fluoro-2-phenylacetic acid
CID 7003723
(Z)-4,4-difluoro-1,3-diphenylbut-2-en-1-ol
CID 102212500
ethyl 4,4-difluoro-2-[hydroxy(phenyl)methyl]but-3-enoate
CID 10890504
N-[fluoro(phenyl)methyl]hydroxylamine;hydrochloride
CID 175030018
(1R)-2-chloro-2-fluoro-1-phenylethanol
CID 102153591
1,2-diphenylethane-1,2-diol
CID 159073808
(Z)-1,4-diphenylbut-2-ene-1,4-diol
CID 12815414
(1S)-1,2,2-triphenylethanol
CID 38988933
N,N,N',N'-tetrafluoro-1,2-diphenylethane-1,2-diamine
CID 23261782

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trifluoroprop-2-enylbenzene?
The IUPAC name of 1,3,3-trifluoroprop-2-enylbenzene (CID 175493614) is 1,3,3-trifluoroprop-2-enylbenzene.
What is the SMILES notation for 1,3,3-trifluoroprop-2-enylbenzene?
The canonical SMILES for 1,3,3-trifluoroprop-2-enylbenzene is FC(F)=CC(F)c1ccccc1.
What is the InChIKey of 1,3,3-trifluoroprop-2-enylbenzene?
The InChIKey is YLYAHARIFZMCQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-6,8H.
What are the key properties of 1,3,3-trifluoroprop-2-enylbenzene?
1,3,3-trifluoroprop-2-enylbenzene has a molecular weight of 172.15 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trifluoroprop-2-enylbenzene is sourced from PubChem (CID 175493614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).