1-(difluoromethoxy)-4-prop-2-enylbenzene

C10H10F2O — CID 142914126

IUPAC1-(difluoromethoxy)-4-prop-2-enylbenzene
SMILESC=CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C10H10F2O/c1-2-3-8-4-6-9(7-5-8)13-10(11)12/h2,4-7,10H,1,3H2
InChIKeyDRSZNNZJHKNKMH-UHFFFAOYSA-N
MW184.19 g/mol
LogP3.02
Rot. Bonds4

About 1-(difluoromethoxy)-4-prop-2-enylbenzene

1-(difluoromethoxy)-4-prop-2-enylbenzene (PubChem CID 142914126) has the molecular formula C10H10F2O and a molecular weight of 184.19 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-prop-2-enylbenzene.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-prop-2-enylbenzene
PubChem CID142914126
Molecular FormulaC10H10F2O
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name1-(difluoromethoxy)-4-prop-2-enylbenzene
SMILESC=CCc1ccc(OC(F)F)cc1
InChIInChI=1S/C10H10F2O/c1-2-3-8-4-6-9(7-5-8)13-10(11)12/h2,4-7,10H,1,3H2
InChIKeyDRSZNNZJHKNKMH-UHFFFAOYSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-but-3-enyl-4-[4-(difluoromethoxy)phenyl]benzene
CID 139764185
oxozinc;1-prop-2-enyl-4-(4-prop-2-enylphenyl)peroxybenzene
CID 174931923
1-(difluoromethoxy)-4-ethylbenzene;ethane
CID 170568946
2-[[4-(difluoromethoxy)phenyl]methyl-prop-2-enylamino]ethanol
CID 111423289
1-prop-2-enoxy-4-[4-(4-prop-2-enylphenyl)phenyl]benzene
CID 67815398
2-(difluoromethoxy)-1-(methoxymethyl)-4-(4-prop-2-enylphenyl)benzene
CID 67676075
1-(difluoromethoxy)-4-[2-(4-methoxyphenyl)ethyl]benzene
CID 19436013
4-(4-prop-2-enylphenoxy)phenol
CID 141330239
bis(1-prop-2-enyl-4-(4-prop-2-enylphenyl)benzene);hydrate
CID 174815878
N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylprop-2-enamide
CID 43616660
2-[4-(difluoromethoxy)phenyl]acetic acid
CID 2774127
1-cyclopropyloxy-4-prop-2-enylbenzene
CID 114520509

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxy)-4-prop-2-enylbenzene?
The IUPAC name of 1-(difluoromethoxy)-4-prop-2-enylbenzene (CID 142914126) is 1-(difluoromethoxy)-4-prop-2-enylbenzene.
What is the SMILES notation for 1-(difluoromethoxy)-4-prop-2-enylbenzene?
The canonical SMILES for 1-(difluoromethoxy)-4-prop-2-enylbenzene is C=CCc1ccc(OC(F)F)cc1.
What is the InChIKey of 1-(difluoromethoxy)-4-prop-2-enylbenzene?
The InChIKey is DRSZNNZJHKNKMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O/c1-2-3-8-4-6-9(7-5-8)13-10(11)12/h2,4-7,10H,1,3H2.
What are the key properties of 1-(difluoromethoxy)-4-prop-2-enylbenzene?
1-(difluoromethoxy)-4-prop-2-enylbenzene has a molecular weight of 184.19 g/mol, XLogP of 3.02, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-prop-2-enylbenzene is sourced from PubChem (CID 142914126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).