1-(2-fluoropropan-2-yl)-3-(4-methylphenyl)benzene

C16H17F — CID 143454027

IUPAC1-(2-fluoropropan-2-yl)-3-(4-methylphenyl)benzene
SMILESCc1ccc(-c2cccc(C(C)(C)F)c2)cc1
InChIInChI=1S/C16H17F/c1-12-7-9-13(10-8-12)14-5-4-6-15(11-14)16(2,3)17/h4-11H,1-3H3
InChIKeyITFUGGBQKQCWNS-UHFFFAOYSA-N
MW228.31 g/mol
LogP4.87
Rot. Bonds2

About 1-(2-fluoropropan-2-yl)-3-(4-methylphenyl)benzene

1-(2-fluoropropan-2-yl)-3-(4-methylphenyl)benzene (PubChem CID 143454027) has the molecular formula C16H17F and a molecular weight of 228.31 g/mol. Its IUPAC name is 1-(2-fluoropropan-2-yl)-3-(4-methylphenyl)benzene.

Molecular Properties

Compound Name1-(2-fluoropropan-2-yl)-3-(4-methylphenyl)benzene
PubChem CID143454027
Molecular FormulaC16H17F
Molecular Weight228.31 g/mol
Exact Mass228.13
IUPAC Name1-(2-fluoropropan-2-yl)-3-(4-methylphenyl)benzene
SMILESCc1ccc(-c2cccc(C(C)(C)F)c2)cc1
InChIInChI=1S/C16H17F/c1-12-7-9-13(10-8-12)14-5-4-6-15(11-14)16(2,3)17/h4-11H,1-3H3
InChIKeyITFUGGBQKQCWNS-UHFFFAOYSA-N
XLogP4.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.31
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-tert-butyl-3-(4-tert-butylphenyl)benzene
CID 12682933
4-[3-(1,1-difluoroethyl)phenyl]benzenethiol
CID 142872005
1-tert-butyl-3-(3-tert-butylphenyl)benzene;ethane
CID 159548907
1-fluoro-4-[3-(4-methylphenyl)phenyl]benzene
CID 23629230
tert-butylbenzene;1-tert-butyl-3-phenylbenzene;1-tert-butyl-4-phenylbenzene;1-tert-butyl-3-(3-phenylphenyl)benzene;1-tert-butyl-3-(4-phenylphenyl)benzene;1-tert-butyl-4-(3-phenylphenyl)benzene;1-tert-butyl-4-(4-phenylphenyl)benzene;1,4-ditert-butylbenzene
CID 162095144
1,1,1-trifluoro-2-[3-[3-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]phenyl]propan-2-ol
CID 89211813
4-(3-tert-butylphenyl)-1,2-dimethylbenzene
CID 59105932
1-methyl-3,5-bis[3-(4-methylphenyl)phenyl]benzene
CID 59552733
1-methyl-3-[4-[3-(4-methylphenyl)phenyl]phenyl]benzene
CID 58892418
methane;1-methyl-3-(4-methylphenyl)benzene
CID 158328523
9-[3-[3,6-bis(4-methylphenyl)carbazol-9-yl]-5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]phenyl]-3,6-bis(4-methylphenyl)carbazole
CID 162571767
4-[3-(trifluoromethyl)phenyl]aniline
CID 2760739

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoropropan-2-yl)-3-(4-methylphenyl)benzene?
The IUPAC name of 1-(2-fluoropropan-2-yl)-3-(4-methylphenyl)benzene (CID 143454027) is 1-(2-fluoropropan-2-yl)-3-(4-methylphenyl)benzene.
What is the SMILES notation for 1-(2-fluoropropan-2-yl)-3-(4-methylphenyl)benzene?
The canonical SMILES for 1-(2-fluoropropan-2-yl)-3-(4-methylphenyl)benzene is Cc1ccc(-c2cccc(C(C)(C)F)c2)cc1.
What is the InChIKey of 1-(2-fluoropropan-2-yl)-3-(4-methylphenyl)benzene?
The InChIKey is ITFUGGBQKQCWNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F/c1-12-7-9-13(10-8-12)14-5-4-6-15(11-14)16(2,3)17/h4-11H,1-3H3.
What are the key properties of 1-(2-fluoropropan-2-yl)-3-(4-methylphenyl)benzene?
1-(2-fluoropropan-2-yl)-3-(4-methylphenyl)benzene has a molecular weight of 228.31 g/mol, XLogP of 4.87, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoropropan-2-yl)-3-(4-methylphenyl)benzene is sourced from PubChem (CID 143454027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).