2-chloro-5-[1-chloro-2-(2,4-difluorophenyl)ethyl]furan

C12H8Cl2F2O — CID 106689828

IUPAC2-chloro-5-[1-chloro-2-(2,4-difluorophenyl)ethyl]furan
SMILESFc1ccc(CC(Cl)c2ccc(Cl)o2)c(F)c1
InChIInChI=1S/C12H8Cl2F2O/c13-9(11-3-4-12(14)17-11)5-7-1-2-8(15)6-10(7)16/h1-4,6,9H,5H2
InChIKeyDMKORPXHESJDTG-UHFFFAOYSA-N
MW277.10 g/mol
LogP4.73
Rot. Bonds3

About 2-chloro-5-[1-chloro-2-(2,4-difluorophenyl)ethyl]furan

2-chloro-5-[1-chloro-2-(2,4-difluorophenyl)ethyl]furan (PubChem CID 106689828) has the molecular formula C12H8Cl2F2O and a molecular weight of 277.10 g/mol. Its IUPAC name is 2-chloro-5-[1-chloro-2-(2,4-difluorophenyl)ethyl]furan.

Molecular Properties

Compound Name2-chloro-5-[1-chloro-2-(2,4-difluorophenyl)ethyl]furan
PubChem CID106689828
Molecular FormulaC12H8Cl2F2O
Molecular Weight277.10 g/mol
Exact Mass275.99
IUPAC Name2-chloro-5-[1-chloro-2-(2,4-difluorophenyl)ethyl]furan
SMILESFc1ccc(CC(Cl)c2ccc(Cl)o2)c(F)c1
InChIInChI=1S/C12H8Cl2F2O/c13-9(11-3-4-12(14)17-11)5-7-1-2-8(15)6-10(7)16/h1-4,6,9H,5H2
InChIKeyDMKORPXHESJDTG-UHFFFAOYSA-N
XLogP4.73
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.10
LogP ≤ 54.73
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

1-[2-chloro-2-(2-chloro-3-fluorophenyl)ethyl]-2,4-difluorobenzene
CID 81461552
2-(4-bromo-2-fluorophenyl)-1-(5-chlorofuran-2-yl)ethanamine
CID 106691816
3-chloro-2-[1-chloro-2-(2,4-difluorophenyl)ethyl]thiophene
CID 80530624
1-[1-chloro-2-(2,4-difluorophenyl)ethyl]-2-fluoro-3-methylbenzene
CID 81479380
1,3-bis(2,4-difluorophenyl)propan-2-amine
CID 64561196
2-(2-bromo-4-fluorophenyl)-1-(5-chlorofuran-2-yl)-N-methylethanamine
CID 106691787
1-(2-chloro-4-fluorophenyl)-2-(2,4-difluorophenyl)ethanamine
CID 55152610
1-(3-chloro-2-ethylbutyl)-2,4-difluorobenzene
CID 63461285
3-bromo-5-[1-chloro-2-(2,4-difluorophenyl)ethyl]-2-methylthiophene
CID 102835341
1-[2-chloro-2-(1-methylcyclopropyl)ethyl]-2,4-difluorobenzene
CID 130553760
1-(4-chloro-2-fluorophenyl)-2-(2,4-difluorophenyl)-N-methylethanamine
CID 63081771
2-(2,4-difluorophenyl)-1-(7-fluoro-1-benzofuran-2-yl)ethanamine
CID 114728807

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[1-chloro-2-(2,4-difluorophenyl)ethyl]furan?
The IUPAC name of 2-chloro-5-[1-chloro-2-(2,4-difluorophenyl)ethyl]furan (CID 106689828) is 2-chloro-5-[1-chloro-2-(2,4-difluorophenyl)ethyl]furan.
What is the SMILES notation for 2-chloro-5-[1-chloro-2-(2,4-difluorophenyl)ethyl]furan?
The canonical SMILES for 2-chloro-5-[1-chloro-2-(2,4-difluorophenyl)ethyl]furan is Fc1ccc(CC(Cl)c2ccc(Cl)o2)c(F)c1.
What is the InChIKey of 2-chloro-5-[1-chloro-2-(2,4-difluorophenyl)ethyl]furan?
The InChIKey is DMKORPXHESJDTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl2F2O/c13-9(11-3-4-12(14)17-11)5-7-1-2-8(15)6-10(7)16/h1-4,6,9H,5H2.
What are the key properties of 2-chloro-5-[1-chloro-2-(2,4-difluorophenyl)ethyl]furan?
2-chloro-5-[1-chloro-2-(2,4-difluorophenyl)ethyl]furan has a molecular weight of 277.10 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[1-chloro-2-(2,4-difluorophenyl)ethyl]furan is sourced from PubChem (CID 106689828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).