4-[(E)-3,3-difluorobut-1-enyl]-2-methyl-1-prop-1-en-2-ylbenzene

C14H16F2 — CID 143533260

IUPAC4-[(E)-3,3-difluorobut-1-enyl]-2-methyl-1-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(/C=C/C(C)(F)F)cc1C
InChIInChI=1S/C14H16F2/c1-10(2)13-6-5-12(9-11(13)3)7-8-14(4,15)16/h5-9H,1H2,2-4H3/b8-7+
InChIKeyIZRBDHGDAHQCKL-BQYQJAHWSA-N
MW222.28 g/mol
LogP4.70
Rot. Bonds3

About 4-[(E)-3,3-difluorobut-1-enyl]-2-methyl-1-prop-1-en-2-ylbenzene

4-[(E)-3,3-difluorobut-1-enyl]-2-methyl-1-prop-1-en-2-ylbenzene (PubChem CID 143533260) has the molecular formula C14H16F2 and a molecular weight of 222.28 g/mol. Its IUPAC name is 4-[(E)-3,3-difluorobut-1-enyl]-2-methyl-1-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name4-[(E)-3,3-difluorobut-1-enyl]-2-methyl-1-prop-1-en-2-ylbenzene
PubChem CID143533260
Molecular FormulaC14H16F2
Molecular Weight222.28 g/mol
Exact Mass222.12
IUPAC Name4-[(E)-3,3-difluorobut-1-enyl]-2-methyl-1-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(/C=C/C(C)(F)F)cc1C
InChIInChI=1S/C14H16F2/c1-10(2)13-6-5-12(9-11(13)3)7-8-14(4,15)16/h5-9H,1H2,2-4H3/b8-7+
InChIKeyIZRBDHGDAHQCKL-BQYQJAHWSA-N
XLogP4.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.28
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

3-methyl-4-prop-1-en-2-ylbenzaldehyde
CID 165138521
2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzamide
CID 74319750
4-but-2-en-2-yl-2-methyl-1-prop-1-en-2-ylbenzene
CID 91045189
methyl 2-methyl-4-(3,3,3-trifluoroprop-1-enyl)benzoate
CID 68702082
actinium;3-methyl-4-prop-1-en-2-ylphenol
CID 20669254
4-(3,3-dimethylbut-1-enyl)-1,2-dimethylbenzene
CID 135010442
4-methoxy-2-methyl-1-prop-1-en-2-ylbenzene
CID 90442837
1-[2-methyl-4-[(E)-3,3,3-trifluoroprop-1-enyl]phenyl]-2-(5,6,7,8-tetrahydroquinolin-3-yl)prop-2-en-1-one
CID 143533226
(3-methyl-4-prop-1-en-2-ylphenyl) acetate
CID 21189087
trimethyl-(3-methyl-4-prop-1-en-2-ylphenoxy)silane
CID 19882747
ethane;1,2,4-trimethyl-5-prop-1-en-2-ylbenzene
CID 163218853
butane;(E)-4,4-difluoro-3-methylpent-2-ene;2,3-dimethylpentane;(3-methyl-4-prop-1-en-2-ylphenyl)methanol
CID 172585668

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3,3-difluorobut-1-enyl]-2-methyl-1-prop-1-en-2-ylbenzene?
The IUPAC name of 4-[(E)-3,3-difluorobut-1-enyl]-2-methyl-1-prop-1-en-2-ylbenzene (CID 143533260) is 4-[(E)-3,3-difluorobut-1-enyl]-2-methyl-1-prop-1-en-2-ylbenzene.
What is the SMILES notation for 4-[(E)-3,3-difluorobut-1-enyl]-2-methyl-1-prop-1-en-2-ylbenzene?
The canonical SMILES for 4-[(E)-3,3-difluorobut-1-enyl]-2-methyl-1-prop-1-en-2-ylbenzene is C=C(C)c1ccc(/C=C/C(C)(F)F)cc1C.
What is the InChIKey of 4-[(E)-3,3-difluorobut-1-enyl]-2-methyl-1-prop-1-en-2-ylbenzene?
The InChIKey is IZRBDHGDAHQCKL-BQYQJAHWSA-N. The full InChI is InChI=1S/C14H16F2/c1-10(2)13-6-5-12(9-11(13)3)7-8-14(4,15)16/h5-9H,1H2,2-4H3/b8-7+.
What are the key properties of 4-[(E)-3,3-difluorobut-1-enyl]-2-methyl-1-prop-1-en-2-ylbenzene?
4-[(E)-3,3-difluorobut-1-enyl]-2-methyl-1-prop-1-en-2-ylbenzene has a molecular weight of 222.28 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3,3-difluorobut-1-enyl]-2-methyl-1-prop-1-en-2-ylbenzene is sourced from PubChem (CID 143533260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).