1,4-difluoro-2-methyl-3-prop-1-en-2-ylbenzene

C10H10F2 — CID 166532604

IUPAC1,4-difluoro-2-methyl-3-prop-1-en-2-ylbenzene
SMILESC=C(C)c1c(F)ccc(F)c1C
InChIInChI=1S/C10H10F2/c1-6(2)10-7(3)8(11)4-5-9(10)12/h4-5H,1H2,2-3H3
InChIKeyJFRLEOQZSHIELK-UHFFFAOYSA-N
MW168.19 g/mol
LogP3.31
Rot. Bonds1

About 1,4-difluoro-2-methyl-3-prop-1-en-2-ylbenzene

1,4-difluoro-2-methyl-3-prop-1-en-2-ylbenzene (PubChem CID 166532604) has the molecular formula C10H10F2 and a molecular weight of 168.19 g/mol. Its IUPAC name is 1,4-difluoro-2-methyl-3-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1,4-difluoro-2-methyl-3-prop-1-en-2-ylbenzene
PubChem CID166532604
Molecular FormulaC10H10F2
Molecular Weight168.19 g/mol
Exact Mass168.08
IUPAC Name1,4-difluoro-2-methyl-3-prop-1-en-2-ylbenzene
SMILESC=C(C)c1c(F)ccc(F)c1C
InChIInChI=1S/C10H10F2/c1-6(2)10-7(3)8(11)4-5-9(10)12/h4-5H,1H2,2-3H3
InChIKeyJFRLEOQZSHIELK-UHFFFAOYSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.19
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;1-fluoro-3-methyl-2-prop-1-en-2-ylbenzene
CID 163302643
3-cyano-6-fluoro-2-prop-1-en-2-ylbenzoic acid
CID 164587320
3,6-difluoro-N,2-dimethylbenzenecarbothioamide
CID 163623914
3-[(Z)-but-2-en-2-yl]-1-fluoro-2,4-dimethylbenzene
CID 170757404
5-chloro-1,3-difluoro-2-prop-1-en-2-ylbenzene
CID 171522333
6-chloro-3-fluoro-2-methylbenzoic acid
CID 68752912
1-(3-chloro-6-fluoro-2-methylphenyl)ethanone
CID 84770201
1-(3-fluoro-6-methoxy-2-methylphenyl)ethanone
CID 84658391
1-fluoro-2-prop-1-en-2-yl-3-(trifluoromethyl)benzene
CID 89360581
2-[(Z)-but-2-en-2-yl]-1-ethenyl-4-fluoro-3-methylbenzene;ethane;methanol
CID 171786078
3,6-difluoro-2-methylphenol
CID 66721696
1,4-dimethyl-2,3-bis(prop-1-en-2-yl)naphthalene
CID 163606470

Frequently Asked Questions

What is the IUPAC name of 1,4-difluoro-2-methyl-3-prop-1-en-2-ylbenzene?
The IUPAC name of 1,4-difluoro-2-methyl-3-prop-1-en-2-ylbenzene (CID 166532604) is 1,4-difluoro-2-methyl-3-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1,4-difluoro-2-methyl-3-prop-1-en-2-ylbenzene?
The canonical SMILES for 1,4-difluoro-2-methyl-3-prop-1-en-2-ylbenzene is C=C(C)c1c(F)ccc(F)c1C.
What is the InChIKey of 1,4-difluoro-2-methyl-3-prop-1-en-2-ylbenzene?
The InChIKey is JFRLEOQZSHIELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2/c1-6(2)10-7(3)8(11)4-5-9(10)12/h4-5H,1H2,2-3H3.
What are the key properties of 1,4-difluoro-2-methyl-3-prop-1-en-2-ylbenzene?
1,4-difluoro-2-methyl-3-prop-1-en-2-ylbenzene has a molecular weight of 168.19 g/mol, XLogP of 3.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluoro-2-methyl-3-prop-1-en-2-ylbenzene is sourced from PubChem (CID 166532604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).