3,3-difluoro-5-(4-methylpent-2-en-3-yl)-4-prop-1-en-2-yl-2H-furan

C13H18F2O — CID 91266850

IUPAC3,3-difluoro-5-(4-methylpent-2-en-3-yl)-4-prop-1-en-2-yl-2H-furan
SMILESC=C(C)C1=C(C(=CC)C(C)C)OCC1(F)F
InChIInChI=1S/C13H18F2O/c1-6-10(8(2)3)12-11(9(4)5)13(14,15)7-16-12/h6,8H,4,7H2,1-3,5H3
InChIKeyGXLUDILRXYSGEY-UHFFFAOYSA-N
MW228.28 g/mol
LogP4.08
Rot. Bonds3

About 3,3-difluoro-5-(4-methylpent-2-en-3-yl)-4-prop-1-en-2-yl-2H-furan

3,3-difluoro-5-(4-methylpent-2-en-3-yl)-4-prop-1-en-2-yl-2H-furan (PubChem CID 91266850) has the molecular formula C13H18F2O and a molecular weight of 228.28 g/mol. Its IUPAC name is 3,3-difluoro-5-(4-methylpent-2-en-3-yl)-4-prop-1-en-2-yl-2H-furan.

Molecular Properties

Compound Name3,3-difluoro-5-(4-methylpent-2-en-3-yl)-4-prop-1-en-2-yl-2H-furan
PubChem CID91266850
Molecular FormulaC13H18F2O
Molecular Weight228.28 g/mol
Exact Mass228.13
IUPAC Name3,3-difluoro-5-(4-methylpent-2-en-3-yl)-4-prop-1-en-2-yl-2H-furan
SMILESC=C(C)C1=C(C(=CC)C(C)C)OCC1(F)F
InChIInChI=1S/C13H18F2O/c1-6-10(8(2)3)12-11(9(4)5)13(14,15)7-16-12/h6,8H,4,7H2,1-3,5H3
InChIKeyGXLUDILRXYSGEY-UHFFFAOYSA-N
XLogP4.08
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.28
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-(Trifluoromethyl)tetrahydrocumaron
CID 129708512
5-[(E)-2-fluoroethenyl]-6-[(Z)-1-fluoroprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 71070342
6-[(Z)-1-fluoroprop-1-enyl]-5-[(E)-2-fluoroprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 71070397
5-[(E)-2-fluoroethenyl]-6-(1-fluoro-2-methylprop-1-enyl)-3-methyl-3,4-dihydro-2H-pyran
CID 71070560
6-ethenyl-5-[(E)-2-fluorobut-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247339
5-ethenyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247343
5-[(E)-2-fluorobut-1-enyl]-6-(1-fluoroethenyl)-3-methyl-3,4-dihydro-2H-pyran
CID 89247362
6-[(Z)-3-fluoro-2-methylbut-1-enyl]-3,5-dimethyl-3,4-dihydro-2H-pyran
CID 89247420
6-(1-fluoroethenyl)-5-[(E)-2-fluoroprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247424
5-ethyl-6-[(Z)-3-fluoro-2-methylprop-1-enyl]-3-methyl-3,4-dihydro-2H-pyran
CID 89247475
6-[(E)-1,3-difluoro-2-methylprop-1-enyl]-5-ethenyl-3-methyl-3,4-dihydro-2H-pyran
CID 89247482
2-Cyclopropyl-1-methyl-3-(2,2,2-trifluoroethoxy)cyclohepta-1,3,5-triene
CID 90924062

Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-5-(4-methylpent-2-en-3-yl)-4-prop-1-en-2-yl-2H-furan?
The IUPAC name of 3,3-difluoro-5-(4-methylpent-2-en-3-yl)-4-prop-1-en-2-yl-2H-furan (CID 91266850) is 3,3-difluoro-5-(4-methylpent-2-en-3-yl)-4-prop-1-en-2-yl-2H-furan.
What is the SMILES notation for 3,3-difluoro-5-(4-methylpent-2-en-3-yl)-4-prop-1-en-2-yl-2H-furan?
The canonical SMILES for 3,3-difluoro-5-(4-methylpent-2-en-3-yl)-4-prop-1-en-2-yl-2H-furan is C=C(C)C1=C(C(=CC)C(C)C)OCC1(F)F.
What is the InChIKey of 3,3-difluoro-5-(4-methylpent-2-en-3-yl)-4-prop-1-en-2-yl-2H-furan?
The InChIKey is GXLUDILRXYSGEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2O/c1-6-10(8(2)3)12-11(9(4)5)13(14,15)7-16-12/h6,8H,4,7H2,1-3,5H3.
What are the key properties of 3,3-difluoro-5-(4-methylpent-2-en-3-yl)-4-prop-1-en-2-yl-2H-furan?
3,3-difluoro-5-(4-methylpent-2-en-3-yl)-4-prop-1-en-2-yl-2H-furan has a molecular weight of 228.28 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-5-(4-methylpent-2-en-3-yl)-4-prop-1-en-2-yl-2H-furan is sourced from PubChem (CID 91266850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).