2-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan

C12H10ClFO2 — CID 61083604

IUPAC2-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan
SMILESCOc1ccc(F)cc1C(Cl)c1ccco1
InChIInChI=1S/C12H10ClFO2/c1-15-10-5-4-8(14)7-9(10)12(13)11-3-2-6-16-11/h2-7,12H,1H3
InChIKeyDVLBBBFOGKOAIU-UHFFFAOYSA-N
MW240.66 g/mol
LogP3.76
Rot. Bonds3

About 2-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan

2-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan (PubChem CID 61083604) has the molecular formula C12H10ClFO2 and a molecular weight of 240.66 g/mol. Its IUPAC name is 2-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan.

Molecular Properties

Compound Name2-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan
PubChem CID61083604
Molecular FormulaC12H10ClFO2
Molecular Weight240.66 g/mol
Exact Mass240.04
IUPAC Name2-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan
SMILESCOc1ccc(F)cc1C(Cl)c1ccco1
InChIInChI=1S/C12H10ClFO2/c1-15-10-5-4-8(14)7-9(10)12(13)11-3-2-6-16-11/h2-7,12H,1H3
InChIKeyDVLBBBFOGKOAIU-UHFFFAOYSA-N
XLogP3.76
TPSA22.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.66
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[chloro-(2,6-dimethoxyphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 61085421
3-[chloro-(5-fluoro-2-methoxyphenyl)methyl]-2-methylfuran
CID 61086437
2-bromo-3-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan
CID 106855501
2-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 65434058
1,3-dichloro-2-[chloro-(5-fluoro-2-methoxyphenyl)methyl]benzene
CID 63433354
4-fluoro-1-methoxy-2-propan-2-ylbenzene
CID 53399241
2-(1-chloro-2,2-difluoroethyl)-4-fluoro-1-methoxybenzene
CID 103514435
2,2-dichloro-1-(5-fluoro-2-methoxyphenyl)ethanol
CID 164892130
2-(1-chloro-2,2,2-trifluoroethyl)-4-fluoro-1-methoxybenzene
CID 61086434
2-[chloro-[4-(difluoromethoxy)phenyl]methyl]-4-fluoro-1-methoxybenzene
CID 61086035
1-bromo-3-chloro-5-[chloro-(5-fluoro-2-methoxyphenyl)methyl]benzene
CID 114020376
2-(1-chloro-2-methylpentyl)-4-fluoro-1-methoxybenzene
CID 63432919

Frequently Asked Questions

What is the IUPAC name of 2-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan?
The IUPAC name of 2-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan (CID 61083604) is 2-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan.
What is the SMILES notation for 2-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan?
The canonical SMILES for 2-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan is COc1ccc(F)cc1C(Cl)c1ccco1.
What is the InChIKey of 2-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan?
The InChIKey is DVLBBBFOGKOAIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClFO2/c1-15-10-5-4-8(14)7-9(10)12(13)11-3-2-6-16-11/h2-7,12H,1H3.
What are the key properties of 2-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan?
2-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan has a molecular weight of 240.66 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro-(5-fluoro-2-methoxyphenyl)methyl]furan is sourced from PubChem (CID 61083604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).