1,1-difluoroethane;fluoroform;1-(fluoromethyl)-4-methylbenzene

C11H14F6 — CID 90732289

IUPAC1,1-difluoroethane;fluoroform;1-(fluoromethyl)-4-methylbenzene
SMILESCC(F)F.Cc1ccc(CF)cc1.FC(F)F
InChIInChI=1S/C8H9F.C2H4F2.CHF3/c1-7-2-4-8(6-9)5-3-7;1-2(3)4;2-1(3)4/h2-5H,6H2,1H3;2H,1H3;1H
InChIKeySZLJBSGJSJEKQK-UHFFFAOYSA-N
MW260.22 g/mol
LogP4.91
Rot. Bonds1

About 1,1-difluoroethane;fluoroform;1-(fluoromethyl)-4-methylbenzene

1,1-difluoroethane;fluoroform;1-(fluoromethyl)-4-methylbenzene (PubChem CID 90732289) has the molecular formula C11H14F6 and a molecular weight of 260.22 g/mol. Its IUPAC name is 1,1-difluoroethane;fluoroform;1-(fluoromethyl)-4-methylbenzene.

Molecular Properties

Compound Name1,1-difluoroethane;fluoroform;1-(fluoromethyl)-4-methylbenzene
PubChem CID90732289
Molecular FormulaC11H14F6
Molecular Weight260.22 g/mol
Exact Mass260.10
IUPAC Name1,1-difluoroethane;fluoroform;1-(fluoromethyl)-4-methylbenzene
SMILESCC(F)F.Cc1ccc(CF)cc1.FC(F)F
InChIInChI=1S/C8H9F.C2H4F2.CHF3/c1-7-2-4-8(6-9)5-3-7;1-2(3)4;2-1(3)4/h2-5H,6H2,1H3;2H,1H3;1H
InChIKeySZLJBSGJSJEKQK-UHFFFAOYSA-N
XLogP4.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,1-difluoroethane;1,4-xylene
CID 169209229
1-[(E)-2-[4-(fluoromethyl)phenyl]ethenyl]-4-[(E)-2-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]ethenyl]benzene
CID 89173063
1-(fluoromethyl)-4-[1-(4-methylphenyl)ethoxymethyl]benzene
CID 71092074
1,4-dichloro-2,5-dimethylbenzene;1-(fluoromethyl)-4-methylbenzene;1,4-xylene
CID 174899702
2-fluoro-1-[4-(fluoromethyl)phenyl]-4-methylbenzene
CID 59215467
1-(3,3-difluoropropyl)-4-methylbenzene
CID 142361339
1,4-bis[2-(4-methylphenyl)ethyl]benzene;fluoromethane
CID 91266439
1-(difluoromethoxymethyl)-4-methylbenzene
CID 162716622
(2S)-2-fluoro-3-(4-methylphenyl)propan-1-amine
CID 129393015
1-(difluoromethoxymethyl)-4-methylbenzene;ethane
CID 178015082
1-(2,3-dimethylpentyl)-4-methylbenzene
CID 91405313
butane;1-ethyl-4-methylbenzene;methane;2-methylpropane
CID 160516837

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoroethane;fluoroform;1-(fluoromethyl)-4-methylbenzene?
The IUPAC name of 1,1-difluoroethane;fluoroform;1-(fluoromethyl)-4-methylbenzene (CID 90732289) is 1,1-difluoroethane;fluoroform;1-(fluoromethyl)-4-methylbenzene.
What is the SMILES notation for 1,1-difluoroethane;fluoroform;1-(fluoromethyl)-4-methylbenzene?
The canonical SMILES for 1,1-difluoroethane;fluoroform;1-(fluoromethyl)-4-methylbenzene is CC(F)F.Cc1ccc(CF)cc1.FC(F)F.
What is the InChIKey of 1,1-difluoroethane;fluoroform;1-(fluoromethyl)-4-methylbenzene?
The InChIKey is SZLJBSGJSJEKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F.C2H4F2.CHF3/c1-7-2-4-8(6-9)5-3-7;1-2(3)4;2-1(3)4/h2-5H,6H2,1H3;2H,1H3;1H.
What are the key properties of 1,1-difluoroethane;fluoroform;1-(fluoromethyl)-4-methylbenzene?
1,1-difluoroethane;fluoroform;1-(fluoromethyl)-4-methylbenzene has a molecular weight of 260.22 g/mol, XLogP of 4.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoroethane;fluoroform;1-(fluoromethyl)-4-methylbenzene is sourced from PubChem (CID 90732289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).