1-(1,1-difluoroethyl)-3-prop-1-en-2-ylbenzene

C11H12F2 — CID 134569595

IUPAC1-(1,1-difluoroethyl)-3-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cccc(C(C)(F)F)c1
InChIInChI=1S/C11H12F2/c1-8(2)9-5-4-6-10(7-9)11(3,12)13/h4-7H,1H2,2-3H3
InChIKeyAXCKGBWTBARUCJ-UHFFFAOYSA-N
MW182.21 g/mol
LogP3.83
Rot. Bonds2

About 1-(1,1-difluoroethyl)-3-prop-1-en-2-ylbenzene

1-(1,1-difluoroethyl)-3-prop-1-en-2-ylbenzene (PubChem CID 134569595) has the molecular formula C11H12F2 and a molecular weight of 182.21 g/mol. Its IUPAC name is 1-(1,1-difluoroethyl)-3-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-(1,1-difluoroethyl)-3-prop-1-en-2-ylbenzene
PubChem CID134569595
Molecular FormulaC11H12F2
Molecular Weight182.21 g/mol
Exact Mass182.09
IUPAC Name1-(1,1-difluoroethyl)-3-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cccc(C(C)(F)F)c1
InChIInChI=1S/C11H12F2/c1-8(2)9-5-4-6-10(7-9)11(3,12)13/h4-7H,1H2,2-3H3
InChIKeyAXCKGBWTBARUCJ-UHFFFAOYSA-N
XLogP3.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.21
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-[2-methyl-4-[3-[2-methyl-4-(3-prop-1-en-2-ylphenyl)pent-4-en-2-yl]phenyl]pent-4-en-2-yl]-3-prop-1-en-2-ylbenzene
CID 58759055
prop-1-en-2-yl-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamic acid
CID 67918073
1-[3-(1,1-difluoroethyl)phenyl]propan-1-one
CID 162577233
1,3-bis(prop-1-en-2-yl)benzene;2-tert-butylperoxy-2-methylpropane
CID 175999840
1-[2-(2-methylbut-3-en-2-ylperoxy)propan-2-yl]-3-prop-1-en-2-ylbenzene
CID 19814596
1-(2-isocyanatopropan-2-yl)-3-prop-1-en-2-ylbenzene;isocyanic acid
CID 87222174
2-methyl-1-[3-(trifluoromethyl)phenyl]prop-2-en-1-one
CID 79190473
1-prop-1-en-2-yl-3-[2-[2-(3-prop-1-en-2-ylphenyl)heptan-2-ylperoxy]heptan-2-yl]benzene
CID 174913877
2-(3-prop-1-en-2-ylphenyl)propan-2-ylcarbamoyloxymethyl N-[2-(3-prop-1-en-2-ylphenyl)propan-2-yl]carbamate
CID 22967201
(3E,5E)-2-N-cyclopentyl-6-[3-(1,1-difluoroethyl)phenyl]-2-N-prop-1-en-2-ylhepta-1,3,5-triene-2,3-diamine
CID 137401611
CID 23599187
CID 23599187
1,3-diphenyl-5-(3-prop-1-en-2-ylphenyl)benzene
CID 145452335

Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroethyl)-3-prop-1-en-2-ylbenzene?
The IUPAC name of 1-(1,1-difluoroethyl)-3-prop-1-en-2-ylbenzene (CID 134569595) is 1-(1,1-difluoroethyl)-3-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-(1,1-difluoroethyl)-3-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-(1,1-difluoroethyl)-3-prop-1-en-2-ylbenzene is C=C(C)c1cccc(C(C)(F)F)c1.
What is the InChIKey of 1-(1,1-difluoroethyl)-3-prop-1-en-2-ylbenzene?
The InChIKey is AXCKGBWTBARUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2/c1-8(2)9-5-4-6-10(7-9)11(3,12)13/h4-7H,1H2,2-3H3.
What are the key properties of 1-(1,1-difluoroethyl)-3-prop-1-en-2-ylbenzene?
1-(1,1-difluoroethyl)-3-prop-1-en-2-ylbenzene has a molecular weight of 182.21 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroethyl)-3-prop-1-en-2-ylbenzene is sourced from PubChem (CID 134569595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).