5-[1-chloro-2-(3-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran

C16H14ClFO — CID 61086151

IUPAC5-[1-chloro-2-(3-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran
SMILESFc1cccc(CC(Cl)c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C16H14ClFO/c17-15(9-11-2-1-3-14(18)8-11)12-4-5-16-13(10-12)6-7-19-16/h1-5,8,10,15H,6-7,9H2
InChIKeyHIUHYHFUDGAOSZ-UHFFFAOYSA-N
MW276.74 g/mol
LogP4.28
Rot. Bonds3

About 5-[1-chloro-2-(3-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran

5-[1-chloro-2-(3-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran (PubChem CID 61086151) has the molecular formula C16H14ClFO and a molecular weight of 276.74 g/mol. Its IUPAC name is 5-[1-chloro-2-(3-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name5-[1-chloro-2-(3-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran
PubChem CID61086151
Molecular FormulaC16H14ClFO
Molecular Weight276.74 g/mol
Exact Mass276.07
IUPAC Name5-[1-chloro-2-(3-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran
SMILESFc1cccc(CC(Cl)c2ccc3c(c2)CCO3)c1
InChIInChI=1S/C16H14ClFO/c17-15(9-11-2-1-3-14(18)8-11)12-4-5-16-13(10-12)6-7-19-16/h1-5,8,10,15H,6-7,9H2
InChIKeyHIUHYHFUDGAOSZ-UHFFFAOYSA-N
XLogP4.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 54.28
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

6-[2-(3-bromophenyl)-1-chloroethyl]-3,4-dihydro-2H-chromene
CID 63435145
2-(3-chlorophenyl)-1-(2,3-dihydro-1-benzofuran-5-yl)ethanol
CID 62505676
6-[1-chloro-2-(3-fluorophenyl)ethyl]-4H-1,4-benzoxazin-3-one
CID 61086056
2-[1-chloro-2-(3-fluorophenyl)ethyl]naphthalene
CID 63542658
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-fluorophenyl)ethanol
CID 61088048
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(3-methylphenyl)ethanamine
CID 55068178
5-[chloro-(4-ethylphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 63430181
5-(1-chloropentyl)-2,3-dihydro-1-benzofuran
CID 61086357
3-(2,3-dihydro-1-benzofuran-5-yl)-1-(3-fluorophenyl)propan-1-amine
CID 65447215
1-[1-chloro-2-(3-fluorophenyl)ethyl]-3,5-dimethylbenzene
CID 55225396
1-(2,3-dihydro-1-benzofuran-5-yl)-3-phenylpropan-2-amine
CID 62722576
5-[(3-bromo-5-fluorophenyl)-chloromethyl]-2,3-dihydro-1-benzofuran
CID 63430473

Frequently Asked Questions

What is the IUPAC name of 5-[1-chloro-2-(3-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran?
The IUPAC name of 5-[1-chloro-2-(3-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran (CID 61086151) is 5-[1-chloro-2-(3-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran.
What is the SMILES notation for 5-[1-chloro-2-(3-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran?
The canonical SMILES for 5-[1-chloro-2-(3-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran is Fc1cccc(CC(Cl)c2ccc3c(c2)CCO3)c1.
What is the InChIKey of 5-[1-chloro-2-(3-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran?
The InChIKey is HIUHYHFUDGAOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFO/c17-15(9-11-2-1-3-14(18)8-11)12-4-5-16-13(10-12)6-7-19-16/h1-5,8,10,15H,6-7,9H2.
What are the key properties of 5-[1-chloro-2-(3-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran?
5-[1-chloro-2-(3-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran has a molecular weight of 276.74 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-chloro-2-(3-fluorophenyl)ethyl]-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 61086151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).