2-fluoro-4-(2-propylphenyl)-1-(trifluoromethyl)benzene

C16H14F4 — CID 122488056

IUPAC2-fluoro-4-(2-propylphenyl)-1-(trifluoromethyl)benzene
SMILESCCCc1ccccc1-c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C16H14F4/c1-2-5-11-6-3-4-7-13(11)12-8-9-14(15(17)10-12)16(18,19)20/h3-4,6-10H,2,5H2,1H3
InChIKeyHYJFGYUCWUAEDC-UHFFFAOYSA-N
MW282.28 g/mol
LogP5.46
Rot. Bonds3

About 2-fluoro-4-(2-propylphenyl)-1-(trifluoromethyl)benzene

2-fluoro-4-(2-propylphenyl)-1-(trifluoromethyl)benzene (PubChem CID 122488056) has the molecular formula C16H14F4 and a molecular weight of 282.28 g/mol. Its IUPAC name is 2-fluoro-4-(2-propylphenyl)-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-fluoro-4-(2-propylphenyl)-1-(trifluoromethyl)benzene
PubChem CID122488056
Molecular FormulaC16H14F4
Molecular Weight282.28 g/mol
Exact Mass282.10
IUPAC Name2-fluoro-4-(2-propylphenyl)-1-(trifluoromethyl)benzene
SMILESCCCc1ccccc1-c1ccc(C(F)(F)F)c(F)c1
InChIInChI=1S/C16H14F4/c1-2-5-11-6-3-4-7-13(11)12-8-9-14(15(17)10-12)16(18,19)20/h3-4,6-10H,2,5H2,1H3
InChIKeyHYJFGYUCWUAEDC-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-[3,3-difluoro-3-[3-fluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenoxy]propyl]-2,3-difluoro-4-propylbenzene
CID 118858718
1-fluoro-2-(2-propylphenyl)benzene
CID 154059621
1-propylazulene
CID 10397225
2-[2-[3,5-difluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]ethyl]-1,3-difluoro-5-propylbenzene
CID 139758638
2-[1,2-difluoro-2-[3-fluoro-4-[3-fluoro-4-(trifluoromethyl)phenyl]phenyl]ethenyl]-1,3-difluoro-5-(4-propylphenyl)benzene
CID 123963675
1,2-difluoro-4-[2-(trifluoromethyl)phenyl]benzene
CID 91807915
2-[2-(3,4-difluorophenyl)phenyl]ethanol
CID 71742773
ethane;1-methyl-3-(2-propylphenyl)benzene
CID 145018385
2-fluoro-1-methyl-4-[2-(trifluoromethyl)phenyl]benzene
CID 123409269
2-fluoro-4-(4-methylphenyl)-1-(trifluoromethyl)benzene
CID 21026890
2-[1,2-difluoro-2-[3-fluoro-4-(trifluoromethyl)phenyl]ethenyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene
CID 123600002
1,2,4-trichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
CID 134626732

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(2-propylphenyl)-1-(trifluoromethyl)benzene?
The IUPAC name of 2-fluoro-4-(2-propylphenyl)-1-(trifluoromethyl)benzene (CID 122488056) is 2-fluoro-4-(2-propylphenyl)-1-(trifluoromethyl)benzene.
What is the SMILES notation for 2-fluoro-4-(2-propylphenyl)-1-(trifluoromethyl)benzene?
The canonical SMILES for 2-fluoro-4-(2-propylphenyl)-1-(trifluoromethyl)benzene is CCCc1ccccc1-c1ccc(C(F)(F)F)c(F)c1.
What is the InChIKey of 2-fluoro-4-(2-propylphenyl)-1-(trifluoromethyl)benzene?
The InChIKey is HYJFGYUCWUAEDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F4/c1-2-5-11-6-3-4-7-13(11)12-8-9-14(15(17)10-12)16(18,19)20/h3-4,6-10H,2,5H2,1H3.
What are the key properties of 2-fluoro-4-(2-propylphenyl)-1-(trifluoromethyl)benzene?
2-fluoro-4-(2-propylphenyl)-1-(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 2-fluoro-4-(2-propylphenyl)-1-(trifluoromethyl)benzene is sourced from PubChem (CID 122488056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).