1-(difluoromethoxy)-3-prop-1-en-2-ylbenzene

C10H10F2O — CID 171472865

IUPAC1-(difluoromethoxy)-3-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C10H10F2O/c1-7(2)8-4-3-5-9(6-8)13-10(11)12/h3-6,10H,1H2,2H3
InChIKeyWKWJZAKZKMBJAH-UHFFFAOYSA-N
MW184.18 g/mol
LogP3.32
Rot. Bonds3

About 1-(difluoromethoxy)-3-prop-1-en-2-ylbenzene

1-(difluoromethoxy)-3-prop-1-en-2-ylbenzene (PubChem CID 171472865) has the molecular formula C10H10F2O and a molecular weight of 184.18 g/mol. Its IUPAC name is 1-(difluoromethoxy)-3-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-3-prop-1-en-2-ylbenzene
PubChem CID171472865
Molecular FormulaC10H10F2O
Molecular Weight184.18 g/mol
Exact Mass184.07
IUPAC Name1-(difluoromethoxy)-3-prop-1-en-2-ylbenzene
SMILESC=C(C)c1cccc(OC(F)F)c1
InChIInChI=1S/C10H10F2O/c1-7(2)8-4-3-5-9(6-8)13-10(11)12/h3-6,10H,1H2,2H3
InChIKeyWKWJZAKZKMBJAH-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(difluoromethoxy)phenyl]-2-methylpropan-1-one
CID 59682159
(Z)-4-[3-(difluoromethoxy)phenyl]pent-3-en-2-ol
CID 103971224
3-[3-(difluoromethoxy)phenyl]but-2-en-1-amine
CID 76996884
1,3-bis[3-(difluoromethoxy)phenyl]propane-1,3-dione
CID 19588274
3-(difluoromethoxy)-N-propan-2-ylbenzamide
CID 60634617
N-(4-acetamidophenyl)-3-(difluoromethoxy)benzamide
CID 2583008
3-[3-(difluoromethoxy)phenyl]-2-methyl-3-oxopropanenitrile
CID 43157235
3-(difluoromethoxy)-N-(2-methylpropoxy)benzamide
CID 113304412
3-amino-1-[3-(difluoromethoxy)phenyl]butan-1-one
CID 81463565
2-chloro-1-[3-(difluoromethoxy)phenyl]butan-1-one
CID 146008921
[3-(difluoromethoxy)phenyl]-(4-fluoro-3,5-dimethylphenyl)methanone
CID 65299025
N-(5-acetamido-2-methylphenyl)-3-(difluoromethoxy)benzamide
CID 46454255

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-3-prop-1-en-2-ylbenzene?
The IUPAC name of 1-(difluoromethoxy)-3-prop-1-en-2-ylbenzene (CID 171472865) is 1-(difluoromethoxy)-3-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-(difluoromethoxy)-3-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-(difluoromethoxy)-3-prop-1-en-2-ylbenzene is C=C(C)c1cccc(OC(F)F)c1.
What is the InChIKey of 1-(difluoromethoxy)-3-prop-1-en-2-ylbenzene?
The InChIKey is WKWJZAKZKMBJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O/c1-7(2)8-4-3-5-9(6-8)13-10(11)12/h3-6,10H,1H2,2H3.
What are the key properties of 1-(difluoromethoxy)-3-prop-1-en-2-ylbenzene?
1-(difluoromethoxy)-3-prop-1-en-2-ylbenzene has a molecular weight of 184.18 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-3-prop-1-en-2-ylbenzene is sourced from PubChem (CID 171472865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).