[6-(4-chlorophenoxy)-1,1-difluorohex-1-en-3-yl] acetate

C14H15ClF2O3 — CID 171617217

IUPAC[6-(4-chlorophenoxy)-1,1-difluorohex-1-en-3-yl] acetate
SMILESCC(=O)OC(C=C(F)F)CCCOc1ccc(Cl)cc1
InChIInChI=1S/C14H15ClF2O3/c1-10(18)20-13(9-14(16)17)3-2-8-19-12-6-4-11(15)5-7-12/h4-7,9,13H,2-3,8H2,1H3
InChIKeyGSIZHKYSRWBFBW-UHFFFAOYSA-N
MW304.72 g/mol
LogP4.21
Rot. Bonds7

About [6-(4-chlorophenoxy)-1,1-difluorohex-1-en-3-yl] acetate

[6-(4-chlorophenoxy)-1,1-difluorohex-1-en-3-yl] acetate (PubChem CID 171617217) has the molecular formula C14H15ClF2O3 and a molecular weight of 304.72 g/mol. Its IUPAC name is [6-(4-chlorophenoxy)-1,1-difluorohex-1-en-3-yl] acetate.

Molecular Properties

Compound Name[6-(4-chlorophenoxy)-1,1-difluorohex-1-en-3-yl] acetate
PubChem CID171617217
Molecular FormulaC14H15ClF2O3
Molecular Weight304.72 g/mol
Exact Mass304.07
IUPAC Name[6-(4-chlorophenoxy)-1,1-difluorohex-1-en-3-yl] acetate
SMILESCC(=O)OC(C=C(F)F)CCCOc1ccc(Cl)cc1
InChIInChI=1S/C14H15ClF2O3/c1-10(18)20-13(9-14(16)17)3-2-8-19-12-6-4-11(15)5-7-12/h4-7,9,13H,2-3,8H2,1H3
InChIKeyGSIZHKYSRWBFBW-UHFFFAOYSA-N
XLogP4.21
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.72
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-chlorophenoxy)propyl]propanedioic acid
CID 131842659
diethyl 2-[3-(4-chlorophenoxy)propyl]propanedioate
CID 2232654
4-chloro-N-[2-(4-chlorophenoxy)ethyl]butanamide
CID 82109522
N-[4-[3-(4-chlorophenoxy)propoxy]phenyl]-N-methylacetamide
CID 166215355
4-chloro-N-[2-(4-chlorophenoxy)ethyl]-N-methylbutanamide
CID 63307950
4-chloro-N'-[4-(4-ethoxyphenoxy)butanoyl]benzohydrazide
CID 8014621
4-(4-chlorophenoxy)butanehydrazide
CID 61059745
4-(4-chlorophenoxy)-N-(2-hydroxypropyl)butanamide
CID 110487099
1-(4-chlorophenoxy)-8-[9-(4-chlorophenoxy)-6-hydroxynonan-2-yl]oxynonan-4-ol
CID 67736599
2-[5-(4-chlorophenoxy)-1-fluoropentyl]oxirane-2-carboxylic acid
CID 14348908
N-[3-(4-chlorophenoxy)propyl]-N-prop-2-enylacetamide
CID 84571935
5-(4-chlorophenoxy)pentanoate
CID 7037411

Frequently Asked Questions

What is the IUPAC name of [6-(4-chlorophenoxy)-1,1-difluorohex-1-en-3-yl] acetate?
The IUPAC name of [6-(4-chlorophenoxy)-1,1-difluorohex-1-en-3-yl] acetate (CID 171617217) is [6-(4-chlorophenoxy)-1,1-difluorohex-1-en-3-yl] acetate.
What is the SMILES notation for [6-(4-chlorophenoxy)-1,1-difluorohex-1-en-3-yl] acetate?
The canonical SMILES for [6-(4-chlorophenoxy)-1,1-difluorohex-1-en-3-yl] acetate is CC(=O)OC(C=C(F)F)CCCOc1ccc(Cl)cc1.
What is the InChIKey of [6-(4-chlorophenoxy)-1,1-difluorohex-1-en-3-yl] acetate?
The InChIKey is GSIZHKYSRWBFBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF2O3/c1-10(18)20-13(9-14(16)17)3-2-8-19-12-6-4-11(15)5-7-12/h4-7,9,13H,2-3,8H2,1H3.
What are the key properties of [6-(4-chlorophenoxy)-1,1-difluorohex-1-en-3-yl] acetate?
[6-(4-chlorophenoxy)-1,1-difluorohex-1-en-3-yl] acetate has a molecular weight of 304.72 g/mol, XLogP of 4.21, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-chlorophenoxy)-1,1-difluorohex-1-en-3-yl] acetate is sourced from PubChem (CID 171617217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).