4-(2-chloroethoxy)-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine

C16H21ClFNO2 — CID 82684841

IUPAC4-(2-chloroethoxy)-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine
SMILESFc1ccc2c(c1)CC(CN1CCC(OCCCl)CC1)O2
InChIInChI=1S/C16H21ClFNO2/c17-5-8-20-14-3-6-19(7-4-14)11-15-10-12-9-13(18)1-2-16(12)21-15/h1-2,9,14-15H,3-8,10-11H2
InChIKeyIPLFOOTUGIOLRP-UHFFFAOYSA-N
MW313.80 g/mol
LogP2.85
Rot. Bonds5

About 4-(2-chloroethoxy)-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine

4-(2-chloroethoxy)-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine (PubChem CID 82684841) has the molecular formula C16H21ClFNO2 and a molecular weight of 313.80 g/mol. Its IUPAC name is 4-(2-chloroethoxy)-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine.

Molecular Properties

Compound Name4-(2-chloroethoxy)-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine
PubChem CID82684841
Molecular FormulaC16H21ClFNO2
Molecular Weight313.80 g/mol
Exact Mass313.12
IUPAC Name4-(2-chloroethoxy)-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine
SMILESFc1ccc2c(c1)CC(CN1CCC(OCCCl)CC1)O2
InChIInChI=1S/C16H21ClFNO2/c17-5-8-20-14-3-6-19(7-4-14)11-15-10-12-9-13(18)1-2-16(12)21-15/h1-2,9,14-15H,3-8,10-11H2
InChIKeyIPLFOOTUGIOLRP-UHFFFAOYSA-N
XLogP2.85
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.80
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-chloroethyl)-4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperazine
CID 66361479
3-chloro-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]pyrrolidine
CID 66362056
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carbonitrile
CID 66363731
1-[1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-yl]ethanamine
CID 66366018
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-4-carboxylic acid
CID 66365126
3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-amine
CID 81459003
1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-3-methylazetidin-3-ol
CID 66361467
2-(2-chloroethoxy)-N-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]-N-methylethanamine
CID 114242591
1-[(5-chloro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidin-4-ol
CID 66361048
3-ethyl-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]azetidin-3-amine
CID 66362444
[4-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methoxy]cyclohexyl]methanol
CID 106825333
methyl (3S)-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine-3-carboxylate
CID 115537460

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroethoxy)-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine?
The IUPAC name of 4-(2-chloroethoxy)-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine (CID 82684841) is 4-(2-chloroethoxy)-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine.
What is the SMILES notation for 4-(2-chloroethoxy)-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine?
The canonical SMILES for 4-(2-chloroethoxy)-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine is Fc1ccc2c(c1)CC(CN1CCC(OCCCl)CC1)O2.
What is the InChIKey of 4-(2-chloroethoxy)-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine?
The InChIKey is IPLFOOTUGIOLRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClFNO2/c17-5-8-20-14-3-6-19(7-4-14)11-15-10-12-9-13(18)1-2-16(12)21-15/h1-2,9,14-15H,3-8,10-11H2.
What are the key properties of 4-(2-chloroethoxy)-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine?
4-(2-chloroethoxy)-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine has a molecular weight of 313.80 g/mol, XLogP of 2.85, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroethoxy)-1-[(5-fluoro-2,3-dihydro-1-benzofuran-2-yl)methyl]piperidine is sourced from PubChem (CID 82684841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).