fluoromethane;1-fluoro-2-methyl-4-propan-2-yl-5-(trifluoromethyl)benzene

C12H15F5 — CID 177009893

IUPACfluoromethane;1-fluoro-2-methyl-4-propan-2-yl-5-(trifluoromethyl)benzene
SMILESCF.Cc1cc(C(C)C)c(C(F)(F)F)cc1F
InChIInChI=1S/C11H12F4.CH3F/c1-6(2)8-4-7(3)10(12)5-9(8)11(13,14)15;1-2/h4-6H,1-3H3;1H3
InChIKeyCFKRPURGDZEDSH-UHFFFAOYSA-N
MW254.24 g/mol
LogP4.86
Rot. Bonds1

About fluoromethane;1-fluoro-2-methyl-4-propan-2-yl-5-(trifluoromethyl)benzene

fluoromethane;1-fluoro-2-methyl-4-propan-2-yl-5-(trifluoromethyl)benzene (PubChem CID 177009893) has the molecular formula C12H15F5 and a molecular weight of 254.24 g/mol. Its IUPAC name is fluoromethane;1-fluoro-2-methyl-4-propan-2-yl-5-(trifluoromethyl)benzene.

Molecular Properties

Compound Namefluoromethane;1-fluoro-2-methyl-4-propan-2-yl-5-(trifluoromethyl)benzene
PubChem CID177009893
Molecular FormulaC12H15F5
Molecular Weight254.24 g/mol
Exact Mass254.11
IUPAC Namefluoromethane;1-fluoro-2-methyl-4-propan-2-yl-5-(trifluoromethyl)benzene
SMILESCF.Cc1cc(C(C)C)c(C(F)(F)F)cc1F
InChIInChI=1S/C11H12F4.CH3F/c1-6(2)8-4-7(3)10(12)5-9(8)11(13,14)15;1-2/h4-6H,1-3H3;1H3
InChIKeyCFKRPURGDZEDSH-UHFFFAOYSA-N
XLogP4.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.24
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,4-difluoro-2-methyl-5-(trifluoromethyl)benzene
CID 51000124
1-chloro-5-fluoro-4-methyl-2-propan-2-ylbenzene
CID 59135078
4-fluoro-5-methyl-2-propan-2-ylaniline
CID 126643926
ethane;2-fluoro-5-propan-2-yl-4-(trifluoromethyl)pyridine
CID 144749638
1-chloro-4-fluoro-2-propan-2-yl-5-(trifluoromethyl)benzene
CID 166584137
1-propan-2-yl-2,4-bis(trifluoromethyl)benzene
CID 20613821
1-chloro-2-[chloro-[2-(trifluoromethyl)phenyl]methyl]-5-fluoro-4-methylbenzene
CID 81047770
1-fluoro-2-methyl-4-nitro-5-(trifluoromethyl)benzene
CID 134615299
(1S)-1-(2,4-difluoro-5-methylphenyl)ethanol
CID 82759306
2-chloro-5-propan-2-yl-4-(trifluoromethyl)pyridine
CID 135179269
4-ethyl-2-propan-2-yl-1-(trifluoromethyl)benzene
CID 137409492
5-(2,6-dimethylphenyl)-2-fluoro-1-propan-2-yl-3-(trifluoromethyl)benzene
CID 177292062

Frequently Asked Questions

What is the IUPAC name of fluoromethane;1-fluoro-2-methyl-4-propan-2-yl-5-(trifluoromethyl)benzene?
The IUPAC name of fluoromethane;1-fluoro-2-methyl-4-propan-2-yl-5-(trifluoromethyl)benzene (CID 177009893) is fluoromethane;1-fluoro-2-methyl-4-propan-2-yl-5-(trifluoromethyl)benzene.
What is the SMILES notation for fluoromethane;1-fluoro-2-methyl-4-propan-2-yl-5-(trifluoromethyl)benzene?
The canonical SMILES for fluoromethane;1-fluoro-2-methyl-4-propan-2-yl-5-(trifluoromethyl)benzene is CF.Cc1cc(C(C)C)c(C(F)(F)F)cc1F.
What is the InChIKey of fluoromethane;1-fluoro-2-methyl-4-propan-2-yl-5-(trifluoromethyl)benzene?
The InChIKey is CFKRPURGDZEDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F4.CH3F/c1-6(2)8-4-7(3)10(12)5-9(8)11(13,14)15;1-2/h4-6H,1-3H3;1H3.
What are the key properties of fluoromethane;1-fluoro-2-methyl-4-propan-2-yl-5-(trifluoromethyl)benzene?
fluoromethane;1-fluoro-2-methyl-4-propan-2-yl-5-(trifluoromethyl)benzene has a molecular weight of 254.24 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethane;1-fluoro-2-methyl-4-propan-2-yl-5-(trifluoromethyl)benzene is sourced from PubChem (CID 177009893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).