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

C12H19FO — CID 146377036

IUPAC3-fluoro-2-methyl-5-(2-methylhexan-2-yl)furan
SMILESCCCCC(C)(C)c1cc(F)c(C)o1
InChIInChI=1S/C12H19FO/c1-5-6-7-12(3,4)11-8-10(13)9(2)14-11/h8H,5-7H2,1-4H3
InChIKeyHUGIDEDSXRIOAR-UHFFFAOYSA-N
MW198.28 g/mol
LogP4.19
Rot. Bonds4

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

3-fluoro-2-methyl-5-(2-methylhexan-2-yl)furan (PubChem CID 146377036) has the molecular formula C12H19FO and a molecular weight of 198.28 g/mol. Its IUPAC name is 3-fluoro-2-methyl-5-(2-methylhexan-2-yl)furan.

Molecular Properties

Compound Name3-fluoro-2-methyl-5-(2-methylhexan-2-yl)furan
PubChem CID146377036
Molecular FormulaC12H19FO
Molecular Weight198.28 g/mol
Exact Mass198.14
IUPAC Name3-fluoro-2-methyl-5-(2-methylhexan-2-yl)furan
SMILESCCCCC(C)(C)c1cc(F)c(C)o1
InChIInChI=1S/C12H19FO/c1-5-6-7-12(3,4)11-8-10(13)9(2)14-11/h8H,5-7H2,1-4H3
InChIKeyHUGIDEDSXRIOAR-UHFFFAOYSA-N
XLogP4.19
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(5-Methyl-2-furyl)butanal
CID 3578033
2-tert-Butylfuran
CID 138903
2-Methyl-5-propylfuran
CID 5191689
(E)-6-Methyl-6-(5-methyl-2-furanyl)-3-hepten-2-one
CID 21767560
2-Methyl-5-(1-methylethyl)furan
CID 10678230
2-(2-Methylcyclopropyl)furan
CID 16226805
CID 361838
CID 361838
Nakafuran-8
CID 360241
2,5-Di-tert-butylfuran
CID 138352
6-Methyl-6-(5-methylfuran-2-yl)heptan-2-one
CID 579180
3-Methyl-5-propyl-2-furannonanoic acid
CID 86017621
2-Pentanone, 4-methyl-4-(5-methyl-2-furanyl)-
CID 3015588

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-methyl-5-(2-methylhexan-2-yl)furan?
The IUPAC name of 3-fluoro-2-methyl-5-(2-methylhexan-2-yl)furan (CID 146377036) is 3-fluoro-2-methyl-5-(2-methylhexan-2-yl)furan.
What is the SMILES notation for 3-fluoro-2-methyl-5-(2-methylhexan-2-yl)furan?
The canonical SMILES for 3-fluoro-2-methyl-5-(2-methylhexan-2-yl)furan is CCCCC(C)(C)c1cc(F)c(C)o1.
What is the InChIKey of 3-fluoro-2-methyl-5-(2-methylhexan-2-yl)furan?
The InChIKey is HUGIDEDSXRIOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19FO/c1-5-6-7-12(3,4)11-8-10(13)9(2)14-11/h8H,5-7H2,1-4H3.
What are the key properties of 3-fluoro-2-methyl-5-(2-methylhexan-2-yl)furan?
3-fluoro-2-methyl-5-(2-methylhexan-2-yl)furan has a molecular weight of 198.28 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-methyl-5-(2-methylhexan-2-yl)furan is sourced from PubChem (CID 146377036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).