1-chloropentyl furan-2-carboxylate

C10H13ClO3 — CID 174368283

IUPAC1-chloropentyl furan-2-carboxylate
SMILESCCCCC(Cl)OC(=O)c1ccco1
InChIInChI=1S/C10H13ClO3/c1-2-3-6-9(11)14-10(12)8-5-4-7-13-8/h4-5,7,9H,2-3,6H2,1H3
InChIKeyJPVLICSQORHCHC-UHFFFAOYSA-N
MW216.66 g/mol
LogP3.19
Rot. Bonds5

About 1-chloropentyl furan-2-carboxylate

1-chloropentyl furan-2-carboxylate (PubChem CID 174368283) has the molecular formula C10H13ClO3 and a molecular weight of 216.66 g/mol. Its IUPAC name is 1-chloropentyl furan-2-carboxylate.

Molecular Properties

Compound Name1-chloropentyl furan-2-carboxylate
PubChem CID174368283
Molecular FormulaC10H13ClO3
Molecular Weight216.66 g/mol
Exact Mass216.06
IUPAC Name1-chloropentyl furan-2-carboxylate
SMILESCCCCC(Cl)OC(=O)c1ccco1
InChIInChI=1S/C10H13ClO3/c1-2-3-6-9(11)14-10(12)8-5-4-7-13-8/h4-5,7,9H,2-3,6H2,1H3
InChIKeyJPVLICSQORHCHC-UHFFFAOYSA-N
XLogP3.19
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.66
LogP ≤ 53.19
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

3-ethyloctan-3-yl furan-2-carboxylate
CID 141389784
methane;propan-2-yl furan-2-carboxylate
CID 157166715
1-(furan-2-yl)-2-(hydroxymethyl)hexan-1-one
CID 45101558
furan-2-carboxylic acid;hexane
CID 157215891
[(2R)-1-chloro-4-methyl-1-oxopentan-2-yl] furan-2-carboxylate
CID 54238781
1,3-diaminopropan-2-yl furan-2-carboxylate;dihydrochloride
CID 139769684
N-[1-(1-aminohexan-2-ylamino)-1-oxopropan-2-yl]furan-2-carboxamide
CID 119667471
2-(butylamino)butyl furan-2-carboxylate
CID 82532214
1-(furan-2-yl)undecan-1-one
CID 15721327
[(2S)-1-(2-methylbutan-2-ylamino)-1-oxopropan-2-yl] furan-2-carboxylate
CID 7406844
(4-pentoxycarbonylphenyl) furan-2-carboxylate
CID 4024442
bromomethyl furan-2-carboxylate
CID 54363056

Frequently Asked Questions

What is the IUPAC name of 1-chloropentyl furan-2-carboxylate?
The IUPAC name of 1-chloropentyl furan-2-carboxylate (CID 174368283) is 1-chloropentyl furan-2-carboxylate.
What is the SMILES notation for 1-chloropentyl furan-2-carboxylate?
The canonical SMILES for 1-chloropentyl furan-2-carboxylate is CCCCC(Cl)OC(=O)c1ccco1.
What is the InChIKey of 1-chloropentyl furan-2-carboxylate?
The InChIKey is JPVLICSQORHCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClO3/c1-2-3-6-9(11)14-10(12)8-5-4-7-13-8/h4-5,7,9H,2-3,6H2,1H3.
What are the key properties of 1-chloropentyl furan-2-carboxylate?
1-chloropentyl furan-2-carboxylate has a molecular weight of 216.66 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloropentyl furan-2-carboxylate is sourced from PubChem (CID 174368283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).