1-(2-chloroprop-2-enoxy)-2,3-difluorobenzene

C9H7ClF2O — CID 130719015

IUPAC1-(2-chloroprop-2-enoxy)-2,3-difluorobenzene
SMILESC=C(Cl)COc1cccc(F)c1F
InChIInChI=1S/C9H7ClF2O/c1-6(10)5-13-8-4-2-3-7(11)9(8)12/h2-4H,1,5H2
InChIKeySYDZSMPUDLRZTH-UHFFFAOYSA-N
MW204.60 g/mol
LogP3.10
Rot. Bonds3

About 1-(2-chloroprop-2-enoxy)-2,3-difluorobenzene

1-(2-chloroprop-2-enoxy)-2,3-difluorobenzene (PubChem CID 130719015) has the molecular formula C9H7ClF2O and a molecular weight of 204.60 g/mol. Its IUPAC name is 1-(2-chloroprop-2-enoxy)-2,3-difluorobenzene.

Molecular Properties

Compound Name1-(2-chloroprop-2-enoxy)-2,3-difluorobenzene
PubChem CID130719015
Molecular FormulaC9H7ClF2O
Molecular Weight204.60 g/mol
Exact Mass204.02
IUPAC Name1-(2-chloroprop-2-enoxy)-2,3-difluorobenzene
SMILESC=C(Cl)COc1cccc(F)c1F
InChIInChI=1S/C9H7ClF2O/c1-6(10)5-13-8-4-2-3-7(11)9(8)12/h2-4H,1,5H2
InChIKeySYDZSMPUDLRZTH-UHFFFAOYSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.60
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

methyl 2-(2,3-difluorophenoxy)acetate
CID 63037600
3-(2-chloroprop-2-enoxy)-2-methylphenol
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CID 166159422
CID 175374084
CID 175374084
1-[7-(2,3-difluorophenoxy)heptoxy]-2,3-difluorobenzene
CID 71446254
3-(2,3-difluorophenoxy)propan-1-ol
CID 63037951
3-(2,3-difluorophenoxy)propane-1,2-diol
CID 79838719
2-(2,3-difluorophenoxy)ethanamine
CID 63036211
1,5-bis(2-chloroprop-2-enoxy)anthracene-9,10-dione
CID 10937982
1-[(3Z,7Z)-7,8-difluoro-9-methyl-2,5,6-trimethylidenedeca-3,7,9-trienoxy]-2,3-difluorobenzene
CID 143875098
1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene
CID 174920306
[2-chloro-6-(2-chloroprop-2-enoxy)phenyl]methanamine
CID 114318588

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroprop-2-enoxy)-2,3-difluorobenzene?
The IUPAC name of 1-(2-chloroprop-2-enoxy)-2,3-difluorobenzene (CID 130719015) is 1-(2-chloroprop-2-enoxy)-2,3-difluorobenzene.
What is the SMILES notation for 1-(2-chloroprop-2-enoxy)-2,3-difluorobenzene?
The canonical SMILES for 1-(2-chloroprop-2-enoxy)-2,3-difluorobenzene is C=C(Cl)COc1cccc(F)c1F.
What is the InChIKey of 1-(2-chloroprop-2-enoxy)-2,3-difluorobenzene?
The InChIKey is SYDZSMPUDLRZTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF2O/c1-6(10)5-13-8-4-2-3-7(11)9(8)12/h2-4H,1,5H2.
What are the key properties of 1-(2-chloroprop-2-enoxy)-2,3-difluorobenzene?
1-(2-chloroprop-2-enoxy)-2,3-difluorobenzene has a molecular weight of 204.60 g/mol, XLogP of 3.10, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroprop-2-enoxy)-2,3-difluorobenzene is sourced from PubChem (CID 130719015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).