1-fluoro-2-(3-propan-2-ylphenyl)benzene

C15H15F — CID 20871867

IUPAC1-fluoro-2-(3-propan-2-ylphenyl)benzene
SMILESCC(C)c1cccc(-c2ccccc2F)c1
InChIInChI=1S/C15H15F/c1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-15(14)16/h3-11H,1-2H3
InChIKeyRQGOPTVENDUVAT-UHFFFAOYSA-N
MW214.28 g/mol
LogP4.62
Rot. Bonds2

About 1-fluoro-2-(3-propan-2-ylphenyl)benzene

1-fluoro-2-(3-propan-2-ylphenyl)benzene (PubChem CID 20871867) has the molecular formula C15H15F and a molecular weight of 214.28 g/mol. Its IUPAC name is 1-fluoro-2-(3-propan-2-ylphenyl)benzene.

Molecular Properties

Compound Name1-fluoro-2-(3-propan-2-ylphenyl)benzene
PubChem CID20871867
Molecular FormulaC15H15F
Molecular Weight214.28 g/mol
Exact Mass214.12
IUPAC Name1-fluoro-2-(3-propan-2-ylphenyl)benzene
SMILESCC(C)c1cccc(-c2ccccc2F)c1
InChIInChI=1S/C15H15F/c1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-15(14)16/h3-11H,1-2H3
InChIKeyRQGOPTVENDUVAT-UHFFFAOYSA-N
XLogP4.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.28
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-fluorophenyl)-5-propan-2-ylazulene
CID 19815703
4-ethenyl-1-fluoro-2-(3-propan-2-ylphenyl)benzene
CID 175665583
4-fluoro-3-(3-propan-2-ylphenyl)benzoic acid
CID 175665590
ethane;2-fluoro-1-phenyl-4-propan-2-ylbenzene
CID 144634978
4-(3-propan-2-ylphenyl)benzene-1,2,3-triol
CID 54086039
2-methyl-6-(3-propan-2-ylphenyl)aniline
CID 172649943
1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene
CID 160951739
3-(2-fluorophenyl)-N,N-dimethylaniline
CID 173224461
N,N-dimethyl-1-[2-(3-propan-2-ylphenyl)phenyl]methanamine;hydrochloride
CID 139942773
1-[3-(3-fluoro-2-methylphenyl)phenyl]-N-methylethanamine
CID 113324477
2-methyl-4-phenyl-1-(3-propan-2-ylphenyl)benzene
CID 163504476
4-fluoro-5-methyl-2-(3-propan-2-ylphenyl)benzoic acid
CID 172914147

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-(3-propan-2-ylphenyl)benzene?
The IUPAC name of 1-fluoro-2-(3-propan-2-ylphenyl)benzene (CID 20871867) is 1-fluoro-2-(3-propan-2-ylphenyl)benzene.
What is the SMILES notation for 1-fluoro-2-(3-propan-2-ylphenyl)benzene?
The canonical SMILES for 1-fluoro-2-(3-propan-2-ylphenyl)benzene is CC(C)c1cccc(-c2ccccc2F)c1.
What is the InChIKey of 1-fluoro-2-(3-propan-2-ylphenyl)benzene?
The InChIKey is RQGOPTVENDUVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F/c1-11(2)12-6-5-7-13(10-12)14-8-3-4-9-15(14)16/h3-11H,1-2H3.
What are the key properties of 1-fluoro-2-(3-propan-2-ylphenyl)benzene?
1-fluoro-2-(3-propan-2-ylphenyl)benzene has a molecular weight of 214.28 g/mol, XLogP of 4.62, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-(3-propan-2-ylphenyl)benzene is sourced from PubChem (CID 20871867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).