2-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2,3-dihydro-1-benzofuran

C18H18ClFO — CID 66365047

IUPAC2-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2,3-dihydro-1-benzofuran
SMILESFc1ccc(CC(CCl)CC2Cc3ccccc3O2)cc1
InChIInChI=1S/C18H18ClFO/c19-12-14(9-13-5-7-16(20)8-6-13)10-17-11-15-3-1-2-4-18(15)21-17/h1-8,14,17H,9-12H2
InChIKeyVRKFNOSDCSACBF-UHFFFAOYSA-N
MW304.79 g/mol
LogP4.62
Rot. Bonds5

About 2-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2,3-dihydro-1-benzofuran

2-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2,3-dihydro-1-benzofuran (PubChem CID 66365047) has the molecular formula C18H18ClFO and a molecular weight of 304.79 g/mol. Its IUPAC name is 2-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name2-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2,3-dihydro-1-benzofuran
PubChem CID66365047
Molecular FormulaC18H18ClFO
Molecular Weight304.79 g/mol
Exact Mass304.10
IUPAC Name2-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2,3-dihydro-1-benzofuran
SMILESFc1ccc(CC(CCl)CC2Cc3ccccc3O2)cc1
InChIInChI=1S/C18H18ClFO/c19-12-14(9-13-5-7-16(20)8-6-13)10-17-11-15-3-1-2-4-18(15)21-17/h1-8,14,17H,9-12H2
InChIKeyVRKFNOSDCSACBF-UHFFFAOYSA-N
XLogP4.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.79
LogP ≤ 54.62
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

2-[2-(chloromethyl)-3-(3-chlorophenyl)propyl]-2,3-dihydro-1-benzofuran
CID 66365246
2-[2-(chloromethyl)butyl]-2,3-dihydro-1-benzofuran
CID 66364657
2-[2-(bromomethyl)-3-(4-methylphenyl)propyl]-2,3-dihydro-1-benzofuran
CID 66363879
2-(2-chloroethyl)-2,3-dihydro-1-benzofuran
CID 141218488
3-(2,3-dihydro-1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 66363440
1-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2-methylbenzene
CID 66034591
2-[3-chloro-2-(4-methylphenyl)propyl]-2,3-dihydro-1-benzofuran
CID 79435863
3-[[(2S)-2,3-dihydro-1-benzofuran-2-yl]methyl]-1-[(4-fluorophenyl)methyl]-1-methylurea
CID 52580861
2-(4-chlorobutyl)-2,3-dihydro-1-benzofuran
CID 66363280
2-(3-chloro-2-methylpentyl)-2,3-dihydro-1-benzofuran
CID 66363434
2-(2,3-dihydro-1-benzofuran-2-yl)-N-(4-fluorophenyl)acetamide
CID 146150593
2-[3-chloro-2-(3-chlorophenyl)propyl]-2,3-dihydro-1-benzofuran
CID 79433736

Frequently Asked Questions

What is the IUPAC name of 2-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 2-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2,3-dihydro-1-benzofuran (CID 66365047) is 2-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 2-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 2-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2,3-dihydro-1-benzofuran is Fc1ccc(CC(CCl)CC2Cc3ccccc3O2)cc1.
What is the InChIKey of 2-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2,3-dihydro-1-benzofuran?
The InChIKey is VRKFNOSDCSACBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClFO/c19-12-14(9-13-5-7-16(20)8-6-13)10-17-11-15-3-1-2-4-18(15)21-17/h1-8,14,17H,9-12H2.
What are the key properties of 2-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2,3-dihydro-1-benzofuran?
2-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2,3-dihydro-1-benzofuran has a molecular weight of 304.79 g/mol, XLogP of 4.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(chloromethyl)-3-(4-fluorophenyl)propyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 66365047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).