3-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-ethylfuran

C14H13ClF2O — CID 114103882

IUPAC3-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-ethylfuran
SMILESCCc1occc1C(Cl)Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H13ClF2O/c1-2-14-10(5-6-18-14)11(15)7-9-3-4-12(16)13(17)8-9/h3-6,8,11H,2,7H2,1H3
InChIKeyYOMVDPUUAAMFNM-UHFFFAOYSA-N
MW270.71 g/mol
LogP4.64
Rot. Bonds4

About 3-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-ethylfuran

3-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-ethylfuran (PubChem CID 114103882) has the molecular formula C14H13ClF2O and a molecular weight of 270.71 g/mol. Its IUPAC name is 3-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-ethylfuran.

Molecular Properties

Compound Name3-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-ethylfuran
PubChem CID114103882
Molecular FormulaC14H13ClF2O
Molecular Weight270.71 g/mol
Exact Mass270.06
IUPAC Name3-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-ethylfuran
SMILESCCc1occc1C(Cl)Cc1ccc(F)c(F)c1
InChIInChI=1S/C14H13ClF2O/c1-2-14-10(5-6-18-14)11(15)7-9-3-4-12(16)13(17)8-9/h3-6,8,11H,2,7H2,1H3
InChIKeyYOMVDPUUAAMFNM-UHFFFAOYSA-N
XLogP4.64
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.71
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-[1-chloro-2-(4-nitrophenyl)ethyl]-2-ethylfuran
CID 114103875
N-[1-(2-chlorofuran-3-yl)-2-(3,4-difluorophenyl)ethyl]propan-1-amine
CID 106687928
2-(3,4-dichlorophenyl)-1-(2-ethylfuran-3-yl)ethanol
CID 114103870
2-chloro-3-[1-chloro-2-(3,4-dichlorophenyl)ethyl]furan
CID 106689813
1-(2-bromofuran-3-yl)-2-(3,4-difluorophenyl)-N-methylethanamine
CID 106854729
1-bromo-2-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-5-fluorobenzene
CID 105399766
2-chloro-3-[1-chloro-2-(3-fluorophenyl)ethyl]furan
CID 106689750
2-chloro-3-[1-chloro-2-(3,4-dimethoxyphenyl)ethyl]furan
CID 106689725
2-(2,4-dichlorophenyl)-1-(2-ethylfuran-3-yl)ethanol
CID 114104601
1-chloro-2-[1-chloro-2-(4-chlorophenyl)ethyl]-4,5-difluorobenzene
CID 107477250
1-(2-ethylfuran-3-yl)-2-(2-fluorophenyl)ethanamine
CID 114103103
1-chloro-4-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-fluorobenzene
CID 107993476

Frequently Asked Questions

What is the IUPAC name of 3-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-ethylfuran?
The IUPAC name of 3-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-ethylfuran (CID 114103882) is 3-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-ethylfuran.
What is the SMILES notation for 3-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-ethylfuran?
The canonical SMILES for 3-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-ethylfuran is CCc1occc1C(Cl)Cc1ccc(F)c(F)c1.
What is the InChIKey of 3-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-ethylfuran?
The InChIKey is YOMVDPUUAAMFNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2O/c1-2-14-10(5-6-18-14)11(15)7-9-3-4-12(16)13(17)8-9/h3-6,8,11H,2,7H2,1H3.
What are the key properties of 3-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-ethylfuran?
3-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-ethylfuran has a molecular weight of 270.71 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-chloro-2-(3,4-difluorophenyl)ethyl]-2-ethylfuran is sourced from PubChem (CID 114103882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).