2,3-dimethyl-2-(trifluoromethyl)butanal

C7H11F3O — CID 142978627

IUPAC2,3-dimethyl-2-(trifluoromethyl)butanal
SMILESCC(C)C(C)(C=O)C(F)(F)F
InChIInChI=1S/C7H11F3O/c1-5(2)6(3,4-11)7(8,9)10/h4-5H,1-3H3
InChIKeyLVYLCWDXADQPFA-UHFFFAOYSA-N
MW168.16 g/mol
LogP2.41
Rot. Bonds2

About 2,3-dimethyl-2-(trifluoromethyl)butanal

2,3-dimethyl-2-(trifluoromethyl)butanal (PubChem CID 142978627) has the molecular formula C7H11F3O and a molecular weight of 168.16 g/mol. Its IUPAC name is 2,3-dimethyl-2-(trifluoromethyl)butanal.

Molecular Properties

Compound Name2,3-dimethyl-2-(trifluoromethyl)butanal
PubChem CID142978627
Molecular FormulaC7H11F3O
Molecular Weight168.16 g/mol
Exact Mass168.08
IUPAC Name2,3-dimethyl-2-(trifluoromethyl)butanal
SMILESCC(C)C(C)(C=O)C(F)(F)F
InChIInChI=1S/C7H11F3O/c1-5(2)6(3,4-11)7(8,9)10/h4-5H,1-3H3
InChIKeyLVYLCWDXADQPFA-UHFFFAOYSA-N
XLogP2.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.16
LogP ≤ 52.41
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-dimethylbutan-2-amine;ethane;2,2,2-trifluoroacetaldehyde
CID 171530254
3,3,4,4,4-pentafluoro-2,2-dimethylbutanal
CID 87372112
2,2,3,3,4-pentamethylpentanal
CID 87784908
(2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanal
CID 89230328
methane;1,1,1,2-tetrafluoro-2,3-dimethylbutane
CID 158961607
(1,1,1-trifluoro-2-methylbutan-2-yl) formate
CID 162773826
2-chloro-2-fluoro-3-methylbutane
CID 88897527
2,2-difluoropropane;formic acid
CID 160803691
3,3,4,4,5,5,5-heptafluoro-2-methylpentanal
CID 86162788
2-methyl-2-(propan-2-ylamino)propanal
CID 11094648
3,3-difluoro-2,2,4-trimethylpentane
CID 88950288
methane;1,1,1,2-tetrafluoro-3-methyl-2-(trifluoromethyl)butane
CID 161018111

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-(trifluoromethyl)butanal?
The IUPAC name of 2,3-dimethyl-2-(trifluoromethyl)butanal (CID 142978627) is 2,3-dimethyl-2-(trifluoromethyl)butanal.
What is the SMILES notation for 2,3-dimethyl-2-(trifluoromethyl)butanal?
The canonical SMILES for 2,3-dimethyl-2-(trifluoromethyl)butanal is CC(C)C(C)(C=O)C(F)(F)F.
What is the InChIKey of 2,3-dimethyl-2-(trifluoromethyl)butanal?
The InChIKey is LVYLCWDXADQPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3O/c1-5(2)6(3,4-11)7(8,9)10/h4-5H,1-3H3.
What are the key properties of 2,3-dimethyl-2-(trifluoromethyl)butanal?
2,3-dimethyl-2-(trifluoromethyl)butanal has a molecular weight of 168.16 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-(trifluoromethyl)butanal is sourced from PubChem (CID 142978627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).