1-(2,2-difluoropropyl)-4-methylbenzene;ethane;methanol

C15H28F2O — CID 143347604

IUPAC1-(2,2-difluoropropyl)-4-methylbenzene;ethane;methanol
SMILESCC.CC.CO.Cc1ccc(CC(C)(F)F)cc1
InChIInChI=1S/C10H12F2.2C2H6.CH4O/c1-8-3-5-9(6-4-8)7-10(2,11)12;3*1-2/h3-6H,7H2,1-2H3;2*1-2H3;2H,1H3
InChIKeyPIAXFPMCWXQOAV-UHFFFAOYSA-N
MW262.38 g/mol
LogP4.85
Rot. Bonds2

About 1-(2,2-difluoropropyl)-4-methylbenzene;ethane;methanol

1-(2,2-difluoropropyl)-4-methylbenzene;ethane;methanol (PubChem CID 143347604) has the molecular formula C15H28F2O and a molecular weight of 262.38 g/mol. Its IUPAC name is 1-(2,2-difluoropropyl)-4-methylbenzene;ethane;methanol.

Molecular Properties

Compound Name1-(2,2-difluoropropyl)-4-methylbenzene;ethane;methanol
PubChem CID143347604
Molecular FormulaC15H28F2O
Molecular Weight262.38 g/mol
Exact Mass262.21
IUPAC Name1-(2,2-difluoropropyl)-4-methylbenzene;ethane;methanol
SMILESCC.CC.CO.Cc1ccc(CC(C)(F)F)cc1
InChIInChI=1S/C10H12F2.2C2H6.CH4O/c1-8-3-5-9(6-4-8)7-10(2,11)12;3*1-2/h3-6H,7H2,1-2H3;2*1-2H3;2H,1H3
InChIKeyPIAXFPMCWXQOAV-UHFFFAOYSA-N
XLogP4.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.38
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;1-methyl-4-(2,2,2-trifluoroethyl)benzene
CID 143144792
2,2-difluoro-3-(4-methylphenyl)propanoyl chloride
CID 105473373
[4-(2,2-difluoropropyl)phenyl]methanamine
CID 84660094
2-methyl-2-[(4-methylphenyl)methyl]propane-1,3-diol
CID 54018916
ethane;methanol;1,4-xylene
CID 171074418
1-[[4-(2,2-difluoropropyl)phenyl]methyl]cyclopropan-1-ol
CID 117325494
3,3-dimethyl-4-(4-methylphenyl)butan-2-one
CID 15767343
hydroxy-dimethyl-[2-methyl-1-(4-methylphenyl)propan-2-yl]silane
CID 70834578
2,2-difluoro-3-(4-methylphenyl)propanal
CID 105440973
chloromethane;tridecakis(2,2-dimethylpropylbenzene);ethane;fluoromethane;methane;toluene;1,1,1-trifluoroethane
CID 158684200
1-methyl-4-(2,2,4-trimethylpent-3-enyl)benzene
CID 173434506
2,2-difluoro-N-methyl-3-(4-methylphenyl)propan-1-amine
CID 105452062

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoropropyl)-4-methylbenzene;ethane;methanol?
The IUPAC name of 1-(2,2-difluoropropyl)-4-methylbenzene;ethane;methanol (CID 143347604) is 1-(2,2-difluoropropyl)-4-methylbenzene;ethane;methanol.
What is the SMILES notation for 1-(2,2-difluoropropyl)-4-methylbenzene;ethane;methanol?
The canonical SMILES for 1-(2,2-difluoropropyl)-4-methylbenzene;ethane;methanol is CC.CC.CO.Cc1ccc(CC(C)(F)F)cc1.
What is the InChIKey of 1-(2,2-difluoropropyl)-4-methylbenzene;ethane;methanol?
The InChIKey is PIAXFPMCWXQOAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2.2C2H6.CH4O/c1-8-3-5-9(6-4-8)7-10(2,11)12;3*1-2/h3-6H,7H2,1-2H3;2*1-2H3;2H,1H3.
What are the key properties of 1-(2,2-difluoropropyl)-4-methylbenzene;ethane;methanol?
1-(2,2-difluoropropyl)-4-methylbenzene;ethane;methanol has a molecular weight of 262.38 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoropropyl)-4-methylbenzene;ethane;methanol is sourced from PubChem (CID 143347604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).