1-fluoro-2-prop-1-en-2-yl-3-(trifluoromethyl)benzene

C10H8F4 — CID 89360581

IUPAC1-fluoro-2-prop-1-en-2-yl-3-(trifluoromethyl)benzene
SMILESC=C(C)c1c(F)cccc1C(F)(F)F
InChIInChI=1S/C10H8F4/c1-6(2)9-7(10(12,13)14)4-3-5-8(9)11/h3-5H,1H2,2H3
InChIKeyPYEYFEPTSRZOSM-UHFFFAOYSA-N
MW204.17 g/mol
LogP3.88
Rot. Bonds1

About 1-fluoro-2-prop-1-en-2-yl-3-(trifluoromethyl)benzene

1-fluoro-2-prop-1-en-2-yl-3-(trifluoromethyl)benzene (PubChem CID 89360581) has the molecular formula C10H8F4 and a molecular weight of 204.17 g/mol. Its IUPAC name is 1-fluoro-2-prop-1-en-2-yl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-fluoro-2-prop-1-en-2-yl-3-(trifluoromethyl)benzene
PubChem CID89360581
Molecular FormulaC10H8F4
Molecular Weight204.17 g/mol
Exact Mass204.06
IUPAC Name1-fluoro-2-prop-1-en-2-yl-3-(trifluoromethyl)benzene
SMILESC=C(C)c1c(F)cccc1C(F)(F)F
InChIInChI=1S/C10H8F4/c1-6(2)9-7(10(12,13)14)4-3-5-8(9)11/h3-5H,1H2,2H3
InChIKeyPYEYFEPTSRZOSM-UHFFFAOYSA-N
XLogP3.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.17
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

carbanide;1-[2-fluoro-6-(trifluoromethyl)phenyl]ethanone;tungsten
CID 158241209
ethane;1-fluoro-3-methyl-2-prop-1-en-2-ylbenzene
CID 163302643
2-fluoro-N'-hydroxy-6-(trifluoromethyl)benzenecarboximidamide
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(3-fluoro-2-prop-1-en-2-ylphenyl)-oxoazanium hydroxide
CID 162311722
(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]-3-methylbut-3-en-1-amine;hydrochloride
CID 171227347
2-fluoro-N-(2-methylpropyl)-6-(trifluoromethyl)benzamide
CID 83405796
ethyl 3-[2-fluoro-6-(trifluoromethyl)phenyl]-3-oxopropanoate
CID 83403472
N-[2-(dimethylamino)ethyl]-2-fluoro-6-(trifluoromethyl)benzamide
CID 172648766
1-fluoro-2-(trifluoromethyl)benzene;hydrochloride
CID 174766885
CID 69226515
CID 69226515
1,4-difluoro-2-methyl-3-prop-1-en-2-ylbenzene
CID 166532604
(4-chlorophenyl) 2-fluoro-6-(trifluoromethyl)benzoate
CID 91730943

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-prop-1-en-2-yl-3-(trifluoromethyl)benzene?
The IUPAC name of 1-fluoro-2-prop-1-en-2-yl-3-(trifluoromethyl)benzene (CID 89360581) is 1-fluoro-2-prop-1-en-2-yl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-fluoro-2-prop-1-en-2-yl-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-fluoro-2-prop-1-en-2-yl-3-(trifluoromethyl)benzene is C=C(C)c1c(F)cccc1C(F)(F)F.
What is the InChIKey of 1-fluoro-2-prop-1-en-2-yl-3-(trifluoromethyl)benzene?
The InChIKey is PYEYFEPTSRZOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4/c1-6(2)9-7(10(12,13)14)4-3-5-8(9)11/h3-5H,1H2,2H3.
What are the key properties of 1-fluoro-2-prop-1-en-2-yl-3-(trifluoromethyl)benzene?
1-fluoro-2-prop-1-en-2-yl-3-(trifluoromethyl)benzene has a molecular weight of 204.17 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-prop-1-en-2-yl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 89360581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).