3-(chloromethyl)-2-(4-chlorothiophen-2-yl)oxane

C10H12Cl2OS — CID 79426692

IUPAC3-(chloromethyl)-2-(4-chlorothiophen-2-yl)oxane
SMILESClCC1CCCOC1c1cc(Cl)cs1
InChIInChI=1S/C10H12Cl2OS/c11-5-7-2-1-3-13-10(7)9-4-8(12)6-14-9/h4,6-7,10H,1-3,5H2
InChIKeyCJMLQJABSWAXTN-UHFFFAOYSA-N
MW251.18 g/mol
LogP4.11
Rot. Bonds2

About 3-(chloromethyl)-2-(4-chlorothiophen-2-yl)oxane

3-(chloromethyl)-2-(4-chlorothiophen-2-yl)oxane (PubChem CID 79426692) has the molecular formula C10H12Cl2OS and a molecular weight of 251.18 g/mol. Its IUPAC name is 3-(chloromethyl)-2-(4-chlorothiophen-2-yl)oxane.

Molecular Properties

Compound Name3-(chloromethyl)-2-(4-chlorothiophen-2-yl)oxane
PubChem CID79426692
Molecular FormulaC10H12Cl2OS
Molecular Weight251.18 g/mol
Exact Mass250.00
IUPAC Name3-(chloromethyl)-2-(4-chlorothiophen-2-yl)oxane
SMILESClCC1CCCOC1c1cc(Cl)cs1
InChIInChI=1S/C10H12Cl2OS/c11-5-7-2-1-3-13-10(7)9-4-8(12)6-14-9/h4,6-7,10H,1-3,5H2
InChIKeyCJMLQJABSWAXTN-UHFFFAOYSA-N
XLogP4.11
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.18
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-chlorothiophen-2-yl)oxan-3-yl]methanamine
CID 79427333
4-chloro-2-[2-(chloromethyl)cyclopropyl]thiophene
CID 81358122
2-(4-chlorothiophen-2-yl)oxolane-3-carboxylic acid
CID 79427120
3-(chloromethyl)-2-(3-chloro-4-methylphenyl)oxane
CID 106819309
3-(chloromethyl)-2-(3-fluorophenyl)oxane
CID 79373950
3-(chloromethyl)-2-(2,4-difluorophenyl)oxane
CID 79372640
2-(3-chloro-2-fluorophenyl)-3-(chloromethyl)oxane
CID 114489411
3-(chloromethyl)-2-(2-methylphenyl)oxane
CID 79373949
2-(4-chloro-2-fluorophenyl)-3-(chloromethyl)oxolane
CID 114867661
2-(5-bromo-2-methoxyphenyl)-3-(chloromethyl)oxane
CID 79373071
3-(chloromethyl)-2-(3-fluoro-4-methylphenyl)oxane
CID 79373688
3-(chloromethyl)-2-[4-(trifluoromethyl)phenyl]oxane
CID 79373159

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-2-(4-chlorothiophen-2-yl)oxane?
The IUPAC name of 3-(chloromethyl)-2-(4-chlorothiophen-2-yl)oxane (CID 79426692) is 3-(chloromethyl)-2-(4-chlorothiophen-2-yl)oxane.
What is the SMILES notation for 3-(chloromethyl)-2-(4-chlorothiophen-2-yl)oxane?
The canonical SMILES for 3-(chloromethyl)-2-(4-chlorothiophen-2-yl)oxane is ClCC1CCCOC1c1cc(Cl)cs1.
What is the InChIKey of 3-(chloromethyl)-2-(4-chlorothiophen-2-yl)oxane?
The InChIKey is CJMLQJABSWAXTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2OS/c11-5-7-2-1-3-13-10(7)9-4-8(12)6-14-9/h4,6-7,10H,1-3,5H2.
What are the key properties of 3-(chloromethyl)-2-(4-chlorothiophen-2-yl)oxane?
3-(chloromethyl)-2-(4-chlorothiophen-2-yl)oxane has a molecular weight of 251.18 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-2-(4-chlorothiophen-2-yl)oxane is sourced from PubChem (CID 79426692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).