2-fluoro-4-(4-methylphenyl)-1-(3,3,3-trifluoroprop-1-ynyl)benzene

C16H10F4 — CID 143727078

IUPAC2-fluoro-4-(4-methylphenyl)-1-(3,3,3-trifluoroprop-1-ynyl)benzene
SMILESCc1ccc(-c2ccc(C#CC(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C16H10F4/c1-11-2-4-12(5-3-11)14-7-6-13(15(17)10-14)8-9-16(18,19)20/h2-7,10H,1H3
InChIKeyRXNNPVYBKUGRAT-UHFFFAOYSA-N
MW278.25 g/mol
LogP4.71
Rot. Bonds1

About 2-fluoro-4-(4-methylphenyl)-1-(3,3,3-trifluoroprop-1-ynyl)benzene

2-fluoro-4-(4-methylphenyl)-1-(3,3,3-trifluoroprop-1-ynyl)benzene (PubChem CID 143727078) has the molecular formula C16H10F4 and a molecular weight of 278.25 g/mol. Its IUPAC name is 2-fluoro-4-(4-methylphenyl)-1-(3,3,3-trifluoroprop-1-ynyl)benzene.

Molecular Properties

Compound Name2-fluoro-4-(4-methylphenyl)-1-(3,3,3-trifluoroprop-1-ynyl)benzene
PubChem CID143727078
Molecular FormulaC16H10F4
Molecular Weight278.25 g/mol
Exact Mass278.07
IUPAC Name2-fluoro-4-(4-methylphenyl)-1-(3,3,3-trifluoroprop-1-ynyl)benzene
SMILESCc1ccc(-c2ccc(C#CC(F)(F)F)c(F)c2)cc1
InChIInChI=1S/C16H10F4/c1-11-2-4-12(5-3-11)14-7-6-13(15(17)10-14)8-9-16(18,19)20/h2-7,10H,1H3
InChIKeyRXNNPVYBKUGRAT-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.25
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-fluoro-2-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]-3-methyl-5-(4-methylphenyl)benzene
CID 134376452
methane;1,2,3-trifluoro-5-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]benzene
CID 157198263
4-[4-(3,4-difluorophenyl)-2-fluorophenyl]-2-methylbut-3-yn-2-ol
CID 135307691
2-fluoro-4-(4-methylphenyl)-1-(trifluoromethyl)benzene
CID 21026890
5-[4-[2-[4-(4-ethylphenyl)-2-fluorophenyl]ethynyl]-2-fluorophenyl]-1,3-difluoro-2-(3,3,3-trifluoroprop-1-ynyl)benzene
CID 59247255
1,3-difluoro-5-(4-methylphenyl)-2-(trifluoromethyl)benzene
CID 21026844
2-fluoro-1-methyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 22899602
1,2,3-trifluoro-6-[2-[2-fluoro-4-(4-methylphenyl)phenyl]ethynyl]naphthalene
CID 139846553
2-fluoro-1-methyl-4-[4-[2-(4-methylphenyl)ethynyl]phenyl]benzene
CID 20683308
1-[2-[4-[2-(2,4-dimethylphenyl)ethynyl]phenyl]ethynyl]-2-fluoro-4-methylbenzene
CID 21359661
[2,6-difluoro-4-(4-methylphenyl)phenyl]-difluoromethanol
CID 70852511
2-fluoro-5-(4-methylphenyl)benzonitrile
CID 164513731

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(4-methylphenyl)-1-(3,3,3-trifluoroprop-1-ynyl)benzene?
The IUPAC name of 2-fluoro-4-(4-methylphenyl)-1-(3,3,3-trifluoroprop-1-ynyl)benzene (CID 143727078) is 2-fluoro-4-(4-methylphenyl)-1-(3,3,3-trifluoroprop-1-ynyl)benzene.
What is the SMILES notation for 2-fluoro-4-(4-methylphenyl)-1-(3,3,3-trifluoroprop-1-ynyl)benzene?
The canonical SMILES for 2-fluoro-4-(4-methylphenyl)-1-(3,3,3-trifluoroprop-1-ynyl)benzene is Cc1ccc(-c2ccc(C#CC(F)(F)F)c(F)c2)cc1.
What is the InChIKey of 2-fluoro-4-(4-methylphenyl)-1-(3,3,3-trifluoroprop-1-ynyl)benzene?
The InChIKey is RXNNPVYBKUGRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4/c1-11-2-4-12(5-3-11)14-7-6-13(15(17)10-14)8-9-16(18,19)20/h2-7,10H,1H3.
What are the key properties of 2-fluoro-4-(4-methylphenyl)-1-(3,3,3-trifluoroprop-1-ynyl)benzene?
2-fluoro-4-(4-methylphenyl)-1-(3,3,3-trifluoroprop-1-ynyl)benzene has a molecular weight of 278.25 g/mol, XLogP of 4.71, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(4-methylphenyl)-1-(3,3,3-trifluoroprop-1-ynyl)benzene is sourced from PubChem (CID 143727078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).