3-chloro-5-fluoro-2-(2-methylhexan-2-yl)furan

C11H16ClFO — CID 146378645

IUPAC3-chloro-5-fluoro-2-(2-methylhexan-2-yl)furan
SMILESCCCCC(C)(C)c1oc(F)cc1Cl
InChIInChI=1S/C11H16ClFO/c1-4-5-6-11(2,3)10-8(12)7-9(13)14-10/h7H,4-6H2,1-3H3
InChIKeyUZKGADHJUGQOBR-UHFFFAOYSA-N
MW218.70 g/mol
LogP4.54
Rot. Bonds4

About 3-chloro-5-fluoro-2-(2-methylhexan-2-yl)furan

3-chloro-5-fluoro-2-(2-methylhexan-2-yl)furan (PubChem CID 146378645) has the molecular formula C11H16ClFO and a molecular weight of 218.70 g/mol. Its IUPAC name is 3-chloro-5-fluoro-2-(2-methylhexan-2-yl)furan.

Molecular Properties

Compound Name3-chloro-5-fluoro-2-(2-methylhexan-2-yl)furan
PubChem CID146378645
Molecular FormulaC11H16ClFO
Molecular Weight218.70 g/mol
Exact Mass218.09
IUPAC Name3-chloro-5-fluoro-2-(2-methylhexan-2-yl)furan
SMILESCCCCC(C)(C)c1oc(F)cc1Cl
InChIInChI=1S/C11H16ClFO/c1-4-5-6-11(2,3)10-8(12)7-9(13)14-10/h7H,4-6H2,1-3H3
InChIKeyUZKGADHJUGQOBR-UHFFFAOYSA-N
XLogP4.54
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.70
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-Chloro-2-(2-fluorophenyl)furan
CID 11622504
3-Chloro-2-octylfuran
CID 85605352
3-Chloro-2-ethyl-5-phenylfuran
CID 102255025
4-chloro-2-[(2S)-1,1,1-trifluoro-3-methylbutan-2-yl]furan
CID 58736306
2,5-Ditert-butyl-3-fluorofuran
CID 122449101
2-(3-Chloro-4-fluorophenyl)-5-(2,2-dimethylpropyl)furan
CID 122487189
3-Fluoro-2-(2-methylhexan-2-yl)furan
CID 146377016
5-Fluoro-3-iodo-2-(2-methylhexan-2-yl)furan
CID 146377027
5-Fluoro-3-methyl-2-(2-methylhexan-2-yl)furan
CID 146377032
3-Fluoro-2-iodo-5-(2-methylhexan-2-yl)furan
CID 146377034
3-Fluoro-2-methyl-5-(2-methylhexan-2-yl)furan
CID 146377036
2,3-Difluoro-5-(2-methylhexan-2-yl)furan
CID 146378308

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-fluoro-2-(2-methylhexan-2-yl)furan?
The IUPAC name of 3-chloro-5-fluoro-2-(2-methylhexan-2-yl)furan (CID 146378645) is 3-chloro-5-fluoro-2-(2-methylhexan-2-yl)furan.
What is the SMILES notation for 3-chloro-5-fluoro-2-(2-methylhexan-2-yl)furan?
The canonical SMILES for 3-chloro-5-fluoro-2-(2-methylhexan-2-yl)furan is CCCCC(C)(C)c1oc(F)cc1Cl.
What is the InChIKey of 3-chloro-5-fluoro-2-(2-methylhexan-2-yl)furan?
The InChIKey is UZKGADHJUGQOBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFO/c1-4-5-6-11(2,3)10-8(12)7-9(13)14-10/h7H,4-6H2,1-3H3.
What are the key properties of 3-chloro-5-fluoro-2-(2-methylhexan-2-yl)furan?
3-chloro-5-fluoro-2-(2-methylhexan-2-yl)furan has a molecular weight of 218.70 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-fluoro-2-(2-methylhexan-2-yl)furan is sourced from PubChem (CID 146378645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).