1-[(Z)-2-bromoethenyl]-2-(difluoromethoxy)-3-ethoxybenzene

C11H11BrF2O2 — CID 165468768

IUPAC1-[(Z)-2-bromoethenyl]-2-(difluoromethoxy)-3-ethoxybenzene
SMILESCCOc1cccc(/C=C\Br)c1OC(F)F
InChIInChI=1S/C11H11BrF2O2/c1-2-15-9-5-3-4-8(6-7-12)10(9)16-11(13)14/h3-7,11H,2H2,1H3/b7-6-
InChIKeyDCQQAODBDVPWBT-SREVYHEPSA-N
MW293.11 g/mol
LogP4.05
Rot. Bonds5

About 1-[(Z)-2-bromoethenyl]-2-(difluoromethoxy)-3-ethoxybenzene

1-[(Z)-2-bromoethenyl]-2-(difluoromethoxy)-3-ethoxybenzene (PubChem CID 165468768) has the molecular formula C11H11BrF2O2 and a molecular weight of 293.11 g/mol. Its IUPAC name is 1-[(Z)-2-bromoethenyl]-2-(difluoromethoxy)-3-ethoxybenzene.

Molecular Properties

Compound Name1-[(Z)-2-bromoethenyl]-2-(difluoromethoxy)-3-ethoxybenzene
PubChem CID165468768
Molecular FormulaC11H11BrF2O2
Molecular Weight293.11 g/mol
Exact Mass291.99
IUPAC Name1-[(Z)-2-bromoethenyl]-2-(difluoromethoxy)-3-ethoxybenzene
SMILESCCOc1cccc(/C=C\Br)c1OC(F)F
InChIInChI=1S/C11H11BrF2O2/c1-2-15-9-5-3-4-8(6-7-12)10(9)16-11(13)14/h3-7,11H,2H2,1H3/b7-6-
InChIKeyDCQQAODBDVPWBT-SREVYHEPSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.11
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-diethoxy-3-(2-phenylethenyl)benzene
CID 67865300
4-chloro-N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]aniline
CID 9015411
2-[4-[(E)-3-[2-(difluoromethoxy)-3-ethoxyphenyl]prop-2-enoyl]phenoxy]acetate
CID 9447772
1-(difluoromethoxy)-3-ethoxy-2-(trifluoromethoxy)benzene
CID 171027360
3-bromo-1-[2-(difluoromethoxy)-3-ethoxyphenyl]propan-1-one
CID 134624345
1-[(E)-2-bromoethenyl]-2-butoxybenzene
CID 165465465
2-[2-(difluoromethoxy)-6-ethoxyphenyl]propanal
CID 134639459
N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-ethoxybenzamide
CID 9215041
N-[(Z)-[2-(difluoromethoxy)-3-ethoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 9073491
(E)-4-[2-(difluoromethoxy)-3-methoxyphenyl]-N-ethylbut-3-en-2-amine
CID 103092417
N-[[2-(difluoromethoxy)-3-ethoxyphenyl]methyl]-5-methylpyrimidin-2-amine
CID 133404217
3-[(2Z)-2-[[2-(difluoromethoxy)-3-ethoxyphenyl]methylidene]hydrazinyl]-6-methyl-4H-1,2,4-triazin-5-one
CID 135784920

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-2-bromoethenyl]-2-(difluoromethoxy)-3-ethoxybenzene?
The IUPAC name of 1-[(Z)-2-bromoethenyl]-2-(difluoromethoxy)-3-ethoxybenzene (CID 165468768) is 1-[(Z)-2-bromoethenyl]-2-(difluoromethoxy)-3-ethoxybenzene.
What is the SMILES notation for 1-[(Z)-2-bromoethenyl]-2-(difluoromethoxy)-3-ethoxybenzene?
The canonical SMILES for 1-[(Z)-2-bromoethenyl]-2-(difluoromethoxy)-3-ethoxybenzene is CCOc1cccc(/C=C\Br)c1OC(F)F.
What is the InChIKey of 1-[(Z)-2-bromoethenyl]-2-(difluoromethoxy)-3-ethoxybenzene?
The InChIKey is DCQQAODBDVPWBT-SREVYHEPSA-N. The full InChI is InChI=1S/C11H11BrF2O2/c1-2-15-9-5-3-4-8(6-7-12)10(9)16-11(13)14/h3-7,11H,2H2,1H3/b7-6-.
What are the key properties of 1-[(Z)-2-bromoethenyl]-2-(difluoromethoxy)-3-ethoxybenzene?
1-[(Z)-2-bromoethenyl]-2-(difluoromethoxy)-3-ethoxybenzene has a molecular weight of 293.11 g/mol, XLogP of 4.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-2-bromoethenyl]-2-(difluoromethoxy)-3-ethoxybenzene is sourced from PubChem (CID 165468768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).