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

C11H17FO — CID 146377016

IUPAC3-fluoro-2-(2-methylhexan-2-yl)furan
SMILESCCCCC(C)(C)c1occc1F
InChIInChI=1S/C11H17FO/c1-4-5-7-11(2,3)10-9(12)6-8-13-10/h6,8H,4-5,7H2,1-3H3
InChIKeyILGITRJMLRYYNU-UHFFFAOYSA-N
MW184.25 g/mol
LogP3.89
Rot. Bonds4

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

3-fluoro-2-(2-methylhexan-2-yl)furan (PubChem CID 146377016) has the molecular formula C11H17FO and a molecular weight of 184.25 g/mol. Its IUPAC name is 3-fluoro-2-(2-methylhexan-2-yl)furan.

Molecular Properties

Compound Name3-fluoro-2-(2-methylhexan-2-yl)furan
PubChem CID146377016
Molecular FormulaC11H17FO
Molecular Weight184.25 g/mol
Exact Mass184.13
IUPAC Name3-fluoro-2-(2-methylhexan-2-yl)furan
SMILESCCCCC(C)(C)c1occc1F
InChIInChI=1S/C11H17FO/c1-4-5-7-11(2,3)10-9(12)6-8-13-10/h6,8H,4-5,7H2,1-3H3
InChIKeyILGITRJMLRYYNU-UHFFFAOYSA-N
XLogP3.89
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.25
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-fluoro-2-(2-methylhexan-2-yl)furan with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Pentylfuran
CID 19602
2-Butylfuran
CID 20534
2-Heptylfuran
CID 19603
2-Propylfuran
CID 77907
Avocadenofuran
CID 6857792
4-(2-Furyl)-2-butanone
CID 12780
3-(5-Methyl-2-furyl)butanal
CID 3578033
2-Decylfuran
CID 12762300
2-Octylfuran
CID 77845
3-Methyl-2-(3-methylbut-2-enyl)-furan
CID 84825
2-(12-Tridecyn-1-yl)furan
CID 6857797
2-Hexylfuran
CID 77408

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(2-methylhexan-2-yl)furan?
The IUPAC name of 3-fluoro-2-(2-methylhexan-2-yl)furan (CID 146377016) is 3-fluoro-2-(2-methylhexan-2-yl)furan.
What is the SMILES notation for 3-fluoro-2-(2-methylhexan-2-yl)furan?
The canonical SMILES for 3-fluoro-2-(2-methylhexan-2-yl)furan is CCCCC(C)(C)c1occc1F.
What is the InChIKey of 3-fluoro-2-(2-methylhexan-2-yl)furan?
The InChIKey is ILGITRJMLRYYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FO/c1-4-5-7-11(2,3)10-9(12)6-8-13-10/h6,8H,4-5,7H2,1-3H3.
What are the key properties of 3-fluoro-2-(2-methylhexan-2-yl)furan?
3-fluoro-2-(2-methylhexan-2-yl)furan has a molecular weight of 184.25 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(2-methylhexan-2-yl)furan is sourced from PubChem (CID 146377016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).