1-(3-fluorophenyl)-2,3-dimethylbenzene

C14H13F — CID 54184747

IUPAC1-(3-fluorophenyl)-2,3-dimethylbenzene
SMILESCc1cccc(-c2cccc(F)c2)c1C
InChIInChI=1S/C14H13F/c1-10-5-3-8-14(11(10)2)12-6-4-7-13(15)9-12/h3-9H,1-2H3
InChIKeyCYVCRDLNTUCMIG-UHFFFAOYSA-N
MW200.26 g/mol
LogP4.11
Rot. Bonds1

About 1-(3-fluorophenyl)-2,3-dimethylbenzene

1-(3-fluorophenyl)-2,3-dimethylbenzene (PubChem CID 54184747) has the molecular formula C14H13F and a molecular weight of 200.26 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-2,3-dimethylbenzene.

Molecular Properties

Compound Name1-(3-fluorophenyl)-2,3-dimethylbenzene
PubChem CID54184747
Molecular FormulaC14H13F
Molecular Weight200.26 g/mol
Exact Mass200.10
IUPAC Name1-(3-fluorophenyl)-2,3-dimethylbenzene
SMILESCc1cccc(-c2cccc(F)c2)c1C
InChIInChI=1S/C14H13F/c1-10-5-3-8-14(11(10)2)12-6-4-7-13(15)9-12/h3-9H,1-2H3
InChIKeyCYVCRDLNTUCMIG-UHFFFAOYSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.26
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-fluoro-1-(3-fluorophenyl)-3-methylbenzene
CID 46313946
1,1'-biphenyl;1,2-dimethyl-3-phenylbenzene
CID 173440409
1,2-dimethyl-3-phenylbenzene;ethane
CID 90738674
1-(3,4-dimethylphenyl)-2,3-dimethylbenzene;4-(3,4-dimethylphenyl)-1,2-dimethylbenzene
CID 143079541
1,2-dimethyl-3-[3-(trifluoromethoxy)phenyl]benzene
CID 57085724
3-fluoro-1-(3-fluorophenyl)-4-methoxy-2-methylbenzene
CID 118149747
[5-(2,3-dimethylphenyl)-2-fluorophenyl]methanamine
CID 62549550
1-fluoro-2-(3-fluorophenyl)-4-methylbenzene
CID 46313949
1-fluoro-5-(3-fluorophenyl)naphthalene
CID 46313965
carbonic acid;1,2-dimethyl-3-phenylbenzene
CID 67785413
azane;2-(2,3-dimethylphenyl)naphthalene
CID 175360237
3-(3,4-dimethylphenyl)-2-(3-fluorophenyl)pyridine
CID 144943522

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-2,3-dimethylbenzene?
The IUPAC name of 1-(3-fluorophenyl)-2,3-dimethylbenzene (CID 54184747) is 1-(3-fluorophenyl)-2,3-dimethylbenzene.
What is the SMILES notation for 1-(3-fluorophenyl)-2,3-dimethylbenzene?
The canonical SMILES for 1-(3-fluorophenyl)-2,3-dimethylbenzene is Cc1cccc(-c2cccc(F)c2)c1C.
What is the InChIKey of 1-(3-fluorophenyl)-2,3-dimethylbenzene?
The InChIKey is CYVCRDLNTUCMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F/c1-10-5-3-8-14(11(10)2)12-6-4-7-13(15)9-12/h3-9H,1-2H3.
What are the key properties of 1-(3-fluorophenyl)-2,3-dimethylbenzene?
1-(3-fluorophenyl)-2,3-dimethylbenzene has a molecular weight of 200.26 g/mol, XLogP of 4.11, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-2,3-dimethylbenzene is sourced from PubChem (CID 54184747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).