[5-(chloromethyl)furan-2-yl]-thiophen-2-ylmethanone

C10H7ClO2S — CID 82081014

IUPAC[5-(chloromethyl)furan-2-yl]-thiophen-2-ylmethanone
SMILESO=C(c1ccc(CCl)o1)c1cccs1
InChIInChI=1S/C10H7ClO2S/c11-6-7-3-4-8(13-7)10(12)9-2-1-5-14-9/h1-5H,6H2
InChIKeyOLIXDVLRZQLPRX-UHFFFAOYSA-N
MW226.68 g/mol
LogP3.31
Rot. Bonds3

About [5-(chloromethyl)furan-2-yl]-thiophen-2-ylmethanone

[5-(chloromethyl)furan-2-yl]-thiophen-2-ylmethanone (PubChem CID 82081014) has the molecular formula C10H7ClO2S and a molecular weight of 226.68 g/mol. Its IUPAC name is [5-(chloromethyl)furan-2-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[5-(chloromethyl)furan-2-yl]-thiophen-2-ylmethanone
PubChem CID82081014
Molecular FormulaC10H7ClO2S
Molecular Weight226.68 g/mol
Exact Mass225.99
IUPAC Name[5-(chloromethyl)furan-2-yl]-thiophen-2-ylmethanone
SMILESO=C(c1ccc(CCl)o1)c1cccs1
InChIInChI=1S/C10H7ClO2S/c11-6-7-3-4-8(13-7)10(12)9-2-1-5-14-9/h1-5H,6H2
InChIKeyOLIXDVLRZQLPRX-UHFFFAOYSA-N
XLogP3.31
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.68
LogP ≤ 53.31
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

(2-amino-1,3-oxazol-5-yl)-thiophen-2-ylmethanone
CID 69356874
dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene
CID 161486915
[5-(thiophene-2-carbonyl)thieno[3,2-b]thiophen-2-yl]-thiophen-2-ylmethanone
CID 102424317
oxido(thiophene-2-carbonyl)azanium
CID 141173864
2-[dibromo-(2-oxo-2-thiophen-2-ylethyl)-λ4-tellanyl]-1-thiophen-2-ylethanone
CID 177424685
sodium thiophene-2-carboxylate
CID 23672340
N-[2-(chloromethyl)phenyl]thiophene-2-carboxamide
CID 114298046
1-(5-ethylfuran-2-yl)-2-thiophen-2-ylethanone
CID 79095620
5-(chloromethyl)-N-(2,6-dimethylphenyl)furan-2-carboxamide
CID 82109245
(3-chlorothiophen-2-yl)-thiophen-2-ylmethanone
CID 80529755
methyl 2-[4-(thiophene-2-carbonyl)phenyl]acetate
CID 21391799
2-[5-(chloromethyl)furan-2-yl]acetic acid
CID 174376402

Frequently Asked Questions

What is the IUPAC name of [5-(chloromethyl)furan-2-yl]-thiophen-2-ylmethanone?
The IUPAC name of [5-(chloromethyl)furan-2-yl]-thiophen-2-ylmethanone (CID 82081014) is [5-(chloromethyl)furan-2-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [5-(chloromethyl)furan-2-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [5-(chloromethyl)furan-2-yl]-thiophen-2-ylmethanone is O=C(c1ccc(CCl)o1)c1cccs1.
What is the InChIKey of [5-(chloromethyl)furan-2-yl]-thiophen-2-ylmethanone?
The InChIKey is OLIXDVLRZQLPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO2S/c11-6-7-3-4-8(13-7)10(12)9-2-1-5-14-9/h1-5H,6H2.
What are the key properties of [5-(chloromethyl)furan-2-yl]-thiophen-2-ylmethanone?
[5-(chloromethyl)furan-2-yl]-thiophen-2-ylmethanone has a molecular weight of 226.68 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(chloromethyl)furan-2-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 82081014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).