3-chloro-2,5-dimethylfuran

C6H7ClO — CID 13032265

IUPAC3-chloro-2,5-dimethylfuran
SMILESCc1cc(Cl)c(C)o1
InChIInChI=1S/C6H7ClO/c1-4-3-6(7)5(2)8-4/h3H,1-2H3
InChIKeyVHLSSURDDYLLAV-UHFFFAOYSA-N
MW130.57 g/mol
LogP2.55
Rot. Bonds

About 3-chloro-2,5-dimethylfuran

3-chloro-2,5-dimethylfuran (PubChem CID 13032265) has the molecular formula C6H7ClO and a molecular weight of 130.57 g/mol. Its IUPAC name is 3-chloro-2,5-dimethylfuran.

Molecular Properties

Compound Name3-chloro-2,5-dimethylfuran
PubChem CID13032265
Molecular FormulaC6H7ClO
Molecular Weight130.57 g/mol
Exact Mass130.02
IUPAC Name3-chloro-2,5-dimethylfuran
SMILESCc1cc(Cl)c(C)o1
InChIInChI=1S/C6H7ClO/c1-4-3-6(7)5(2)8-4/h3H,1-2H3
InChIKeyVHLSSURDDYLLAV-UHFFFAOYSA-N
XLogP2.55
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.57
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-Chloro-5-ethenylfuran
CID 12365574
4-Chloro-2-(cyclohexen-1-yl)furan
CID 11446723
3-Chloro-2-octylfuran
CID 85605352
3-chloro-2-ethyl-5-[(E)-2-phenylethenyl]furan
CID 135003111
4-Chlorofuran-2-carbaldehyde
CID 12238721
Furan, 2,5-bis(chloromethyl)-
CID 12307674
2-(Chloromethyl)-5-methylfuran
CID 12665097
2-(1-Chloroethyl)furan
CID 20040511
2-(1-Chloroethyl)-5-methylfuran
CID 24688421
2-(Chloromethyl)-5-(difluoromethyl)furan
CID 21698169
2-(Chloromethyl)-5-(trifluoromethyl)furan
CID 21698472
Furan, 4-chloro-2-(trifluoromethyl)-
CID 23058069

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2,5-dimethylfuran?
The IUPAC name of 3-chloro-2,5-dimethylfuran (CID 13032265) is 3-chloro-2,5-dimethylfuran.
What is the SMILES notation for 3-chloro-2,5-dimethylfuran?
The canonical SMILES for 3-chloro-2,5-dimethylfuran is Cc1cc(Cl)c(C)o1.
What is the InChIKey of 3-chloro-2,5-dimethylfuran?
The InChIKey is VHLSSURDDYLLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClO/c1-4-3-6(7)5(2)8-4/h3H,1-2H3.
What are the key properties of 3-chloro-2,5-dimethylfuran?
3-chloro-2,5-dimethylfuran has a molecular weight of 130.57 g/mol, XLogP of 2.55, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2,5-dimethylfuran is sourced from PubChem (CID 13032265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).