2-(difluoromethyl)-4-ethyl-1-prop-1-en-2-ylbenzene

C12H14F2 — CID 139388860

IUPAC2-(difluoromethyl)-4-ethyl-1-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(CC)cc1C(F)F
InChIInChI=1S/C12H14F2/c1-4-9-5-6-10(8(2)3)11(7-9)12(13)14/h5-7,12H,2,4H2,1,3H3
InChIKeyXKNOGYBWWRUFKH-UHFFFAOYSA-N
MW196.24 g/mol
LogP4.22
Rot. Bonds3

About 2-(difluoromethyl)-4-ethyl-1-prop-1-en-2-ylbenzene

2-(difluoromethyl)-4-ethyl-1-prop-1-en-2-ylbenzene (PubChem CID 139388860) has the molecular formula C12H14F2 and a molecular weight of 196.24 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-ethyl-1-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name2-(difluoromethyl)-4-ethyl-1-prop-1-en-2-ylbenzene
PubChem CID139388860
Molecular FormulaC12H14F2
Molecular Weight196.24 g/mol
Exact Mass196.11
IUPAC Name2-(difluoromethyl)-4-ethyl-1-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(CC)cc1C(F)F
InChIInChI=1S/C12H14F2/c1-4-9-5-6-10(8(2)3)11(7-9)12(13)14/h5-7,12H,2,4H2,1,3H3
InChIKeyXKNOGYBWWRUFKH-UHFFFAOYSA-N
XLogP4.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(difluoromethyl)-1,4-diethylbenzene
CID 143346890
4-ethyl-2-[1-(5-ethyl-2-hydroxy-3-prop-1-en-2-ylphenyl)ethyl]-6-prop-1-en-2-ylphenol
CID 89341345
1-bromo-1-[2-(difluoromethyl)-5-ethylphenyl]propan-2-one
CID 131366426
2-(difluoromethyl)-4-ethyl-1-nitrobenzene
CID 156647991
1-(3-bromopropyl)-2-(difluoromethyl)-4-ethylbenzene
CID 118836620
ethyl 4-(3-bromopropyl)-2-(difluoromethyl)benzoate
CID 134641310
1-(5-ethyl-2-propan-2-ylphenyl)ethanone
CID 117281997
2-[1-(2-amino-4-ethylphenyl)ethenyl]-5-ethylaniline
CID 70555011
1-ethyl-3-prop-1-en-2-ylbenzene
CID 14178225
2-(difluoromethyl)-4-(3-ethoxy-3-oxopropyl)benzoic acid
CID 118803628
2-[3,4-bis(prop-1-en-2-yl)phenyl]ethanamine
CID 163774691
1,5-diethyl-2,6-bis(prop-1-en-2-yl)naphthalene
CID 159162513

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-ethyl-1-prop-1-en-2-ylbenzene?
The IUPAC name of 2-(difluoromethyl)-4-ethyl-1-prop-1-en-2-ylbenzene (CID 139388860) is 2-(difluoromethyl)-4-ethyl-1-prop-1-en-2-ylbenzene.
What is the SMILES notation for 2-(difluoromethyl)-4-ethyl-1-prop-1-en-2-ylbenzene?
The canonical SMILES for 2-(difluoromethyl)-4-ethyl-1-prop-1-en-2-ylbenzene is C=C(C)c1ccc(CC)cc1C(F)F.
What is the InChIKey of 2-(difluoromethyl)-4-ethyl-1-prop-1-en-2-ylbenzene?
The InChIKey is XKNOGYBWWRUFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F2/c1-4-9-5-6-10(8(2)3)11(7-9)12(13)14/h5-7,12H,2,4H2,1,3H3.
What are the key properties of 2-(difluoromethyl)-4-ethyl-1-prop-1-en-2-ylbenzene?
2-(difluoromethyl)-4-ethyl-1-prop-1-en-2-ylbenzene has a molecular weight of 196.24 g/mol, XLogP of 4.22, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-ethyl-1-prop-1-en-2-ylbenzene is sourced from PubChem (CID 139388860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).