1-[fluoro(phenyl)methyl]-3-methylbenzene

C14H13F — CID 54364294

IUPAC1-[fluoro(phenyl)methyl]-3-methylbenzene
SMILESCc1cccc(C(F)c2ccccc2)c1
InChIInChI=1S/C14H13F/c1-11-6-5-9-13(10-11)14(15)12-7-3-2-4-8-12/h2-10,14H,1H3
InChIKeyPWUQSOWATWWZPH-UHFFFAOYSA-N
MW200.26 g/mol
LogP4.05
Rot. Bonds2

About 1-[fluoro(phenyl)methyl]-3-methylbenzene

1-[fluoro(phenyl)methyl]-3-methylbenzene (PubChem CID 54364294) has the molecular formula C14H13F and a molecular weight of 200.26 g/mol. Its IUPAC name is 1-[fluoro(phenyl)methyl]-3-methylbenzene.

Molecular Properties

Compound Name1-[fluoro(phenyl)methyl]-3-methylbenzene
PubChem CID54364294
Molecular FormulaC14H13F
Molecular Weight200.26 g/mol
Exact Mass200.10
IUPAC Name1-[fluoro(phenyl)methyl]-3-methylbenzene
SMILESCc1cccc(C(F)c2ccccc2)c1
InChIInChI=1S/C14H13F/c1-11-6-5-9-13(10-11)14(15)12-7-3-2-4-8-12/h2-10,14H,1H3
InChIKeyPWUQSOWATWWZPH-UHFFFAOYSA-N
XLogP4.05
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(difluoromethyl)-3-methylbenzene;ethane;1,3-xylene
CID 177243602
1-methyl-3-(1,2,2-trifluoroethyl)benzene
CID 147922323
1-methyl-3-[1,2,2-tris(3-methylphenyl)ethyl]benzene
CID 117071538
hydrogen peroxide;bis(1-methyl-3-propan-2-ylbenzene)
CID 172708535
benzene;ethane;1-methyl-3-propan-2-ylbenzene
CID 143383161
1-methyl-3-propan-2-ylbenzene;molecular hydrogen;toluene
CID 170971912
(1R)-N-[1-(3-methylphenyl)ethyl]-1-phenylethanamine
CID 79040987
ethane;1-methyl-3-propan-2-ylbenzene
CID 142020139
(1R)-2-methyl-1-(3-methylphenyl)propan-1-amine
CID 45072365
2,2-bis(3-methylphenyl)ethylphosphane
CID 175045111
N-[(3-methylphenyl)-phenylmethyl]hydroxylamine
CID 142769620
3-fluoro-2,2-dimethyl-3-(3-methylphenyl)propanoic acid
CID 105464052

Frequently Asked Questions

What is the IUPAC name of 1-[fluoro(phenyl)methyl]-3-methylbenzene?
The IUPAC name of 1-[fluoro(phenyl)methyl]-3-methylbenzene (CID 54364294) is 1-[fluoro(phenyl)methyl]-3-methylbenzene.
What is the SMILES notation for 1-[fluoro(phenyl)methyl]-3-methylbenzene?
The canonical SMILES for 1-[fluoro(phenyl)methyl]-3-methylbenzene is Cc1cccc(C(F)c2ccccc2)c1.
What is the InChIKey of 1-[fluoro(phenyl)methyl]-3-methylbenzene?
The InChIKey is PWUQSOWATWWZPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F/c1-11-6-5-9-13(10-11)14(15)12-7-3-2-4-8-12/h2-10,14H,1H3.
What are the key properties of 1-[fluoro(phenyl)methyl]-3-methylbenzene?
1-[fluoro(phenyl)methyl]-3-methylbenzene has a molecular weight of 200.26 g/mol, XLogP of 4.05, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[fluoro(phenyl)methyl]-3-methylbenzene is sourced from PubChem (CID 54364294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).