1-(3,3-difluoroprop-1-en-2-yl)-4-methoxybenzene

C10H10F2O — CID 169086546

IUPAC1-(3,3-difluoroprop-1-en-2-yl)-4-methoxybenzene
SMILESC=C(c1ccc(OC)cc1)C(F)F
InChIInChI=1S/C10H10F2O/c1-7(10(11)12)8-3-5-9(13-2)6-4-8/h3-6,10H,1H2,2H3
InChIKeyIEMWWXONHKKQCG-UHFFFAOYSA-N
MW184.18 g/mol
LogP2.97
Rot. Bonds3

About 1-(3,3-difluoroprop-1-en-2-yl)-4-methoxybenzene

1-(3,3-difluoroprop-1-en-2-yl)-4-methoxybenzene (PubChem CID 169086546) has the molecular formula C10H10F2O and a molecular weight of 184.18 g/mol. Its IUPAC name is 1-(3,3-difluoroprop-1-en-2-yl)-4-methoxybenzene.

Molecular Properties

Compound Name1-(3,3-difluoroprop-1-en-2-yl)-4-methoxybenzene
PubChem CID169086546
Molecular FormulaC10H10F2O
Molecular Weight184.18 g/mol
Exact Mass184.07
IUPAC Name1-(3,3-difluoroprop-1-en-2-yl)-4-methoxybenzene
SMILESC=C(c1ccc(OC)cc1)C(F)F
InChIInChI=1S/C10H10F2O/c1-7(10(11)12)8-3-5-9(13-2)6-4-8/h3-6,10H,1H2,2H3
InChIKeyIEMWWXONHKKQCG-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.18
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-methoxy-4-[(3R,4S)-5-(4-methoxyphenyl)-3,4-dimethylhexa-1,5-dien-2-yl]benzene
CID 100960960
2,2-difluoro-1-(4-methoxyphenyl)ethanone
CID 11593558
actinium;1-(4-methoxyphenyl)ethenol
CID 22892785
2-(4-methoxyphenyl)prop-2-ene-1-thiol
CID 144986295
1-methoxy-4-[4-[1-[4-(4-methoxyphenoxy)phenyl]ethenyl]phenoxy]benzene
CID 21292587
(E)-4,4-difluoro-3-(4-methoxyphenyl)but-2-en-1-ol
CID 11600957
4,4-difluoro-1-(4-methoxyphenyl)butane-1,3-dione
CID 2782518
CID 12714057
CID 12714057
2-(methoxymethyl)-1-(4-methoxyphenyl)prop-2-en-1-one
CID 163301307
1-[fluoro-(4-methoxyphenyl)methyl]-4-methoxybenzene
CID 15206991
1-[3,4-dimethylidene-5-(4-methylphenyl)hexa-1,5-dien-2-yl]-4-methoxybenzene
CID 162401228
(1E,4E)-1,2,4,5-tetrafluoro-1,5-bis(4-methoxyphenyl)penta-1,4-dien-3-one
CID 6037096

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluoroprop-1-en-2-yl)-4-methoxybenzene?
The IUPAC name of 1-(3,3-difluoroprop-1-en-2-yl)-4-methoxybenzene (CID 169086546) is 1-(3,3-difluoroprop-1-en-2-yl)-4-methoxybenzene.
What is the SMILES notation for 1-(3,3-difluoroprop-1-en-2-yl)-4-methoxybenzene?
The canonical SMILES for 1-(3,3-difluoroprop-1-en-2-yl)-4-methoxybenzene is C=C(c1ccc(OC)cc1)C(F)F.
What is the InChIKey of 1-(3,3-difluoroprop-1-en-2-yl)-4-methoxybenzene?
The InChIKey is IEMWWXONHKKQCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O/c1-7(10(11)12)8-3-5-9(13-2)6-4-8/h3-6,10H,1H2,2H3.
What are the key properties of 1-(3,3-difluoroprop-1-en-2-yl)-4-methoxybenzene?
1-(3,3-difluoroprop-1-en-2-yl)-4-methoxybenzene has a molecular weight of 184.18 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluoroprop-1-en-2-yl)-4-methoxybenzene is sourced from PubChem (CID 169086546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).