2-methyl-5-(4,4,4-trifluorobutyl)furan

C9H11F3O — CID 142883029

IUPAC2-methyl-5-(4,4,4-trifluorobutyl)furan
SMILESCc1ccc(CCCC(F)(F)F)o1
InChIInChI=1S/C9H11F3O/c1-7-4-5-8(13-7)3-2-6-9(10,11)12/h4-5H,2-3,6H2,1H3
InChIKeyFWRGBGAOYBQVGW-UHFFFAOYSA-N
MW192.18 g/mol
LogP3.47
Rot. Bonds3

About 2-methyl-5-(4,4,4-trifluorobutyl)furan

2-methyl-5-(4,4,4-trifluorobutyl)furan (PubChem CID 142883029) has the molecular formula C9H11F3O and a molecular weight of 192.18 g/mol. Its IUPAC name is 2-methyl-5-(4,4,4-trifluorobutyl)furan.

Molecular Properties

Compound Name2-methyl-5-(4,4,4-trifluorobutyl)furan
PubChem CID142883029
Molecular FormulaC9H11F3O
Molecular Weight192.18 g/mol
Exact Mass192.08
IUPAC Name2-methyl-5-(4,4,4-trifluorobutyl)furan
SMILESCc1ccc(CCCC(F)(F)F)o1
InChIInChI=1S/C9H11F3O/c1-7-4-5-8(13-7)3-2-6-9(10,11)12/h4-5H,2-3,6H2,1H3
InChIKeyFWRGBGAOYBQVGW-UHFFFAOYSA-N
XLogP3.47
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

hydroxy-dimethyl-[2-methyl-5-(5-methylfuran-2-yl)pentan-2-yl]silane
CID 71043343
3-(5-methylfuran-2-yl)propane-1-thiol
CID 83694727
2-(3-ethyl-3-methylpentyl)-5-methylfuran
CID 54437486
ethane;2-(5-methylfuran-2-yl)ethanol
CID 142104864
4,4,4-trifluoro-N-[1-(5-methylfuran-2-yl)ethyl]butan-1-amine
CID 81344002
1-[3-(5-methylfuran-2-yl)propyl]piperazine
CID 82161568
1-[4-(5-methylfuran-2-yl)butyl]piperazine
CID 116928635
sodium 5-[3-(5-methylfuran-2-yl)propyl]furan-2-sulfonate
CID 157129355
2-(2,2-dimethylpropyl)-5-methylfuran
CID 23568486
(1S)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine
CID 171231975
(1R)-4,4,4-trifluoro-1-(5-methylfuran-2-yl)butan-1-amine
CID 171212372
4-[2-(5-methylfuran-2-yl)ethyl]hepta-1,6-diyn-4-ol
CID 102162426

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4,4,4-trifluorobutyl)furan?
The IUPAC name of 2-methyl-5-(4,4,4-trifluorobutyl)furan (CID 142883029) is 2-methyl-5-(4,4,4-trifluorobutyl)furan.
What is the SMILES notation for 2-methyl-5-(4,4,4-trifluorobutyl)furan?
The canonical SMILES for 2-methyl-5-(4,4,4-trifluorobutyl)furan is Cc1ccc(CCCC(F)(F)F)o1.
What is the InChIKey of 2-methyl-5-(4,4,4-trifluorobutyl)furan?
The InChIKey is FWRGBGAOYBQVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3O/c1-7-4-5-8(13-7)3-2-6-9(10,11)12/h4-5H,2-3,6H2,1H3.
What are the key properties of 2-methyl-5-(4,4,4-trifluorobutyl)furan?
2-methyl-5-(4,4,4-trifluorobutyl)furan has a molecular weight of 192.18 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4,4,4-trifluorobutyl)furan is sourced from PubChem (CID 142883029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).