1-(2-fluorophenyl)-2-propyl-3-(trifluoromethyl)benzene

C16H14F4 — CID 91198653

IUPAC1-(2-fluorophenyl)-2-propyl-3-(trifluoromethyl)benzene
SMILESCCCc1c(-c2ccccc2F)cccc1C(F)(F)F
InChIInChI=1S/C16H14F4/c1-2-6-12-11(13-7-3-4-10-15(13)17)8-5-9-14(12)16(18,19)20/h3-5,7-10H,2,6H2,1H3
InChIKeyAGLQPNFEIOKXBC-UHFFFAOYSA-N
MW282.28 g/mol
LogP5.46
Rot. Bonds3

About 1-(2-fluorophenyl)-2-propyl-3-(trifluoromethyl)benzene

1-(2-fluorophenyl)-2-propyl-3-(trifluoromethyl)benzene (PubChem CID 91198653) has the molecular formula C16H14F4 and a molecular weight of 282.28 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-2-propyl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(2-fluorophenyl)-2-propyl-3-(trifluoromethyl)benzene
PubChem CID91198653
Molecular FormulaC16H14F4
Molecular Weight282.28 g/mol
Exact Mass282.10
IUPAC Name1-(2-fluorophenyl)-2-propyl-3-(trifluoromethyl)benzene
SMILESCCCc1c(-c2ccccc2F)cccc1C(F)(F)F
InChIInChI=1S/C16H14F4/c1-2-6-12-11(13-7-3-4-10-15(13)17)8-5-9-14(12)16(18,19)20/h3-5,7-10H,2,6H2,1H3
InChIKeyAGLQPNFEIOKXBC-UHFFFAOYSA-N
XLogP5.46
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.28
LogP ≤ 55.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-fluoro-2-(2-propylphenyl)benzene
CID 154059621
2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine
CID 53403533
1,3-difluoro-2-[2-(trifluoromethyl)phenyl]benzene
CID 118991852
1-fluoro-2-methyl-3-[2-(trifluoromethyl)phenyl]benzene
CID 134626767
1-fluoro-2-(methoxymethyl)-3-(trifluoromethyl)benzene
CID 91726979
2-(butoxymethyl)-1-fluoro-3-(trifluoromethyl)benzene
CID 91727031
1-fluoro-3-(2-fluorophenyl)-2-(trifluoromethyl)benzene
CID 46314542
2-fluoro-4-(2-propylphenyl)-1-(trifluoromethyl)benzene
CID 122488056
[2-(2-fluorophenyl)-3-(trifluoromethyl)phenyl]methanamine
CID 46313291
2-(3-chloropropyl)-1-fluoro-3-(trifluoromethyl)benzene
CID 53434186
1-fluoro-2-(trifluoromethyl)benzene;hydrochloride
CID 174766885
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-2-propyl-3-(trifluoromethyl)benzene?
The IUPAC name of 1-(2-fluorophenyl)-2-propyl-3-(trifluoromethyl)benzene (CID 91198653) is 1-(2-fluorophenyl)-2-propyl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(2-fluorophenyl)-2-propyl-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-(2-fluorophenyl)-2-propyl-3-(trifluoromethyl)benzene is CCCc1c(-c2ccccc2F)cccc1C(F)(F)F.
What is the InChIKey of 1-(2-fluorophenyl)-2-propyl-3-(trifluoromethyl)benzene?
The InChIKey is AGLQPNFEIOKXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4/c1-2-6-12-11(13-7-3-4-10-15(13)17)8-5-9-14(12)16(18,19)20/h3-5,7-10H,2,6H2,1H3.
What are the key properties of 1-(2-fluorophenyl)-2-propyl-3-(trifluoromethyl)benzene?
1-(2-fluorophenyl)-2-propyl-3-(trifluoromethyl)benzene has a molecular weight of 282.28 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-2-propyl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 91198653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).