1-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]benzene

C14H10F4 — CID 134862529

IUPAC1-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
SMILESFc1cccc(Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C14H10F4/c15-13-3-1-2-11(9-13)8-10-4-6-12(7-5-10)14(16,17)18/h1-7,9H,8H2
InChIKeyUIJGNALSTBSGIM-UHFFFAOYSA-N
MW254.23 g/mol
LogP4.44
Rot. Bonds2

About 1-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]benzene

1-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]benzene (PubChem CID 134862529) has the molecular formula C14H10F4 and a molecular weight of 254.23 g/mol. Its IUPAC name is 1-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]benzene.

Molecular Properties

Compound Name1-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
PubChem CID134862529
Molecular FormulaC14H10F4
Molecular Weight254.23 g/mol
Exact Mass254.07
IUPAC Name1-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
SMILESFc1cccc(Cc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C14H10F4/c15-13-3-1-2-11(9-13)8-10-4-6-12(7-5-10)14(16,17)18/h1-7,9H,8H2
InChIKeyUIJGNALSTBSGIM-UHFFFAOYSA-N
XLogP4.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.23
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 129029518
2-fluoro-8-[[4-(trifluoromethyl)phenyl]methyl]dibenzofuran
CID 90910281
1-methyl-4-[[3-(trifluoromethyl)phenyl]methyl]benzene
CID 122368794
1-azido-3-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 164883914
1-tert-butyl-4-[[4-(trifluoromethyl)phenyl]methyl]benzene
CID 20719271
2-(3-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]propan-2-amine
CID 62621068
1-[(3-fluorophenyl)methoxymethyl]-3,5-bis(trifluoromethyl)benzene
CID 87305693
1-[(3-fluorophenyl)methylsulfinylmethyl]-3-(trifluoromethyl)benzene
CID 47022782
4-[[3-(trifluoromethyl)phenyl]methyl]benzonitrile
CID 162534916
1-(3-fluorophenyl)-3-[3-(trifluoromethyl)phenyl]propan-2-one
CID 62621173
1-benzyl-3,5-bis(trifluoromethyl)benzene
CID 11993967
1-fluoro-3-[[3-(trifluoromethyl)phenoxy]methyl]benzene
CID 91656323

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]benzene?
The IUPAC name of 1-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]benzene (CID 134862529) is 1-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]benzene.
What is the SMILES notation for 1-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]benzene?
The canonical SMILES for 1-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]benzene is Fc1cccc(Cc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 1-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]benzene?
The InChIKey is UIJGNALSTBSGIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F4/c15-13-3-1-2-11(9-13)8-10-4-6-12(7-5-10)14(16,17)18/h1-7,9H,8H2.
What are the key properties of 1-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]benzene?
1-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]benzene has a molecular weight of 254.23 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-[[4-(trifluoromethyl)phenyl]methyl]benzene is sourced from PubChem (CID 134862529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).