2-(chloromethyl)-3-(2,2-difluoroethoxy)prop-1-ene

C6H9ClF2O — CID 103066179

IUPAC2-(chloromethyl)-3-(2,2-difluoroethoxy)prop-1-ene
SMILESC=C(CCl)COCC(F)F
InChIInChI=1S/C6H9ClF2O/c1-5(2-7)3-10-4-6(8)9/h6H,1-4H2
InChIKeyAMYWPJLWUKJUSU-UHFFFAOYSA-N
MW170.59 g/mol
LogP2.06
Rot. Bonds5

About 2-(chloromethyl)-3-(2,2-difluoroethoxy)prop-1-ene

2-(chloromethyl)-3-(2,2-difluoroethoxy)prop-1-ene (PubChem CID 103066179) has the molecular formula C6H9ClF2O and a molecular weight of 170.59 g/mol. Its IUPAC name is 2-(chloromethyl)-3-(2,2-difluoroethoxy)prop-1-ene.

Molecular Properties

Compound Name2-(chloromethyl)-3-(2,2-difluoroethoxy)prop-1-ene
PubChem CID103066179
Molecular FormulaC6H9ClF2O
Molecular Weight170.59 g/mol
Exact Mass170.03
IUPAC Name2-(chloromethyl)-3-(2,2-difluoroethoxy)prop-1-ene
SMILESC=C(CCl)COCC(F)F
InChIInChI=1S/C6H9ClF2O/c1-5(2-7)3-10-4-6(8)9/h6H,1-4H2
InChIKeyAMYWPJLWUKJUSU-UHFFFAOYSA-N
XLogP2.06
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.59
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2,2-difluoroethoxymethyl)prop-2-en-1-amine
CID 103075032
2-(chloromethyl)-3-[2-[2-[2-(chloromethyl)prop-2-enoxy]ethoxy]ethoxy]prop-1-ene
CID 121001046
2-(chloromethyl)-3-(2-methoxyethoxy)prop-1-ene
CID 10888272
2-(butan-2-yloxymethyl)-3-chloroprop-1-ene
CID 103066077
2-(2,2-difluoroethoxy)-N-methylethanamine
CID 58684435
2-[2-[2-[2-[2-(2,2-difluoroethoxy)ethoxy]ethoxy]ethoxy]ethoxy]-1,1-difluoroethane
CID 170162541
2-(2,2-difluoroethoxymethoxymethoxy)-1,1-difluoroethane
CID 172816693
ethyl 2-(2,2-difluoroethoxy)acetate
CID 82005115
N-[2-(2,2-difluoroethoxy)ethyl]-2-methoxyacetamide
CID 103082376
1-(2,2-difluoroethoxy)propan-2-ol
CID 82006687
2,2-difluoroethoxymethanamine
CID 162615781
3-(2,2-difluoroethoxy)propanoyl chloride
CID 103208649

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-3-(2,2-difluoroethoxy)prop-1-ene?
The IUPAC name of 2-(chloromethyl)-3-(2,2-difluoroethoxy)prop-1-ene (CID 103066179) is 2-(chloromethyl)-3-(2,2-difluoroethoxy)prop-1-ene.
What is the SMILES notation for 2-(chloromethyl)-3-(2,2-difluoroethoxy)prop-1-ene?
The canonical SMILES for 2-(chloromethyl)-3-(2,2-difluoroethoxy)prop-1-ene is C=C(CCl)COCC(F)F.
What is the InChIKey of 2-(chloromethyl)-3-(2,2-difluoroethoxy)prop-1-ene?
The InChIKey is AMYWPJLWUKJUSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClF2O/c1-5(2-7)3-10-4-6(8)9/h6H,1-4H2.
What are the key properties of 2-(chloromethyl)-3-(2,2-difluoroethoxy)prop-1-ene?
2-(chloromethyl)-3-(2,2-difluoroethoxy)prop-1-ene has a molecular weight of 170.59 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-3-(2,2-difluoroethoxy)prop-1-ene is sourced from PubChem (CID 103066179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).