1-(2,2-difluoroethyl)-3-propan-2-ylbenzene

C11H14F2 — CID 177118676

IUPAC1-(2,2-difluoroethyl)-3-propan-2-ylbenzene
SMILESCC(C)c1cccc(CC(F)F)c1
InChIInChI=1S/C11H14F2/c1-8(2)10-5-3-4-9(6-10)7-11(12)13/h3-6,8,11H,7H2,1-2H3
InChIKeyYARHTKJWPZGIKZ-UHFFFAOYSA-N
MW184.23 g/mol
LogP3.62
Rot. Bonds3

About 1-(2,2-difluoroethyl)-3-propan-2-ylbenzene

1-(2,2-difluoroethyl)-3-propan-2-ylbenzene (PubChem CID 177118676) has the molecular formula C11H14F2 and a molecular weight of 184.23 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-propan-2-ylbenzene.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-propan-2-ylbenzene
PubChem CID177118676
Molecular FormulaC11H14F2
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name1-(2,2-difluoroethyl)-3-propan-2-ylbenzene
SMILESCC(C)c1cccc(CC(F)F)c1
InChIInChI=1S/C11H14F2/c1-8(2)10-5-3-4-9(6-10)7-11(12)13/h3-6,8,11H,7H2,1-2H3
InChIKeyYARHTKJWPZGIKZ-UHFFFAOYSA-N
XLogP3.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(3-propan-2-ylphenyl)propan-2-ol
CID 21243708
2-[3-(2,2-difluoroethyl)phenyl]propanoic acid
CID 84680241
(3-propan-2-ylphenyl)methanamine
CID 21085835
1-[3-(difluoromethyl)phenyl]propan-2-ol
CID 117280458
1-(2,2-difluoroethyl)-3-ethylbenzene;propane
CID 143740703
1-propan-2-yl-3-[(2S)-2-[3-[2-[4-(trifluoromethyl)phenyl]propyl]phenyl]propyl]benzene
CID 178057958
1-(methylsulfanylmethyl)-3-propan-2-ylbenzene
CID 91388847
1-(hydroperoxymethyl)-3-propan-2-ylbenzene
CID 86217956
2-phenyl-1-(3-propan-2-ylphenyl)ethanol
CID 59798288
1-(methylperoxymethyl)-3-propan-2-ylbenzene
CID 21360564
4-[(3-propan-2-ylphenyl)methyl]aniline
CID 123873947
1-(3-methylpentyl)-3-propan-2-ylbenzene
CID 168942891

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-propan-2-ylbenzene?
The IUPAC name of 1-(2,2-difluoroethyl)-3-propan-2-ylbenzene (CID 177118676) is 1-(2,2-difluoroethyl)-3-propan-2-ylbenzene.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-propan-2-ylbenzene?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-propan-2-ylbenzene is CC(C)c1cccc(CC(F)F)c1.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-propan-2-ylbenzene?
The InChIKey is YARHTKJWPZGIKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2/c1-8(2)10-5-3-4-9(6-10)7-11(12)13/h3-6,8,11H,7H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-propan-2-ylbenzene?
1-(2,2-difluoroethyl)-3-propan-2-ylbenzene has a molecular weight of 184.23 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-propan-2-ylbenzene is sourced from PubChem (CID 177118676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).