(2R)-3,4-difluoro-2,3-dimethylpent-4-enal

C7H10F2O — CID 138646598

IUPAC(2R)-3,4-difluoro-2,3-dimethylpent-4-enal
SMILESC=C(F)C(C)(F)[C@H](C)C=O
InChIInChI=1S/C7H10F2O/c1-5(4-10)7(3,9)6(2)8/h4-5H,2H2,1,3H3/t5-,7?/m1/s1
InChIKeyLGUHCZULJKMWPA-FOUAAFFMSA-N
MW148.15 g/mol
LogP2.03
Rot. Bonds3

About (2R)-3,4-difluoro-2,3-dimethylpent-4-enal

(2R)-3,4-difluoro-2,3-dimethylpent-4-enal (PubChem CID 138646598) has the molecular formula C7H10F2O and a molecular weight of 148.15 g/mol. Its IUPAC name is (2R)-3,4-difluoro-2,3-dimethylpent-4-enal.

Molecular Properties

Compound Name(2R)-3,4-difluoro-2,3-dimethylpent-4-enal
PubChem CID138646598
Molecular FormulaC7H10F2O
Molecular Weight148.15 g/mol
Exact Mass148.07
IUPAC Name(2R)-3,4-difluoro-2,3-dimethylpent-4-enal
SMILESC=C(F)C(C)(F)[C@H](C)C=O
InChIInChI=1S/C7H10F2O/c1-5(4-10)7(3,9)6(2)8/h4-5H,2H2,1,3H3/t5-,7?/m1/s1
InChIKeyLGUHCZULJKMWPA-FOUAAFFMSA-N
XLogP2.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.15
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3,3,4,4,5,5,5-heptafluoro-2-methylpentanal
CID 86162788
3-fluoro-3-methyl-4-(trifluoromethyl)pent-4-en-2-amine
CID 130574590
2-fluoro-2-methylpropane;bis(2-methylpropane);2-methylprop-1-ene
CID 157176532
2,2-difluoropropane;bis(2-methylpropane);bis(2-methylprop-1-ene)
CID 160802962
3-hydroxy-2-methyl-3-phenylbutanal
CID 140584728
2,2-difluoropropane;formic acid
CID 160803691
3-fluoro-2-methylbut-3-en-2-ol
CID 119096236
2-methylpropanal;zirconium
CID 87321410
3,3-dihydroxy-2-methylpentanal
CID 173361764
formic acid;3,3,3-trifluoro-2-methylprop-1-ene
CID 169187279
2-hydroxy-3-methylbut-3-enal
CID 79178156
4,4-difluoropent-1-en-3-one
CID 89392918

Frequently Asked Questions

What is the IUPAC name of (2R)-3,4-difluoro-2,3-dimethylpent-4-enal?
The IUPAC name of (2R)-3,4-difluoro-2,3-dimethylpent-4-enal (CID 138646598) is (2R)-3,4-difluoro-2,3-dimethylpent-4-enal.
What is the SMILES notation for (2R)-3,4-difluoro-2,3-dimethylpent-4-enal?
The canonical SMILES for (2R)-3,4-difluoro-2,3-dimethylpent-4-enal is C=C(F)C(C)(F)[C@H](C)C=O.
What is the InChIKey of (2R)-3,4-difluoro-2,3-dimethylpent-4-enal?
The InChIKey is LGUHCZULJKMWPA-FOUAAFFMSA-N. The full InChI is InChI=1S/C7H10F2O/c1-5(4-10)7(3,9)6(2)8/h4-5H,2H2,1,3H3/t5-,7?/m1/s1.
What are the key properties of (2R)-3,4-difluoro-2,3-dimethylpent-4-enal?
(2R)-3,4-difluoro-2,3-dimethylpent-4-enal has a molecular weight of 148.15 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,4-difluoro-2,3-dimethylpent-4-enal is sourced from PubChem (CID 138646598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).