(2R)-3,3,3-trifluoro-2-methylpropanal

C4H5F3O — CID 7023094

IUPAC(2R)-3,3,3-trifluoro-2-methylpropanal
SMILESC[C@H](C=O)C(F)(F)F
InChIInChI=1S/C4H5F3O/c1-3(2-8)4(5,6)7/h2-3H,1H3/t3-/m1/s1
InChIKeyQLHMHPBDSYKXRI-GSVOUGTGSA-N
MW126.08 g/mol
LogP1.38
Rot. Bonds1

About (2R)-3,3,3-trifluoro-2-methylpropanal

(2R)-3,3,3-trifluoro-2-methylpropanal (PubChem CID 7023094) has the molecular formula C4H5F3O and a molecular weight of 126.08 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-2-methylpropanal.

Molecular Properties

Compound Name(2R)-3,3,3-trifluoro-2-methylpropanal
PubChem CID7023094
Molecular FormulaC4H5F3O
Molecular Weight126.08 g/mol
Exact Mass126.03
IUPAC Name(2R)-3,3,3-trifluoro-2-methylpropanal
SMILESC[C@H](C=O)C(F)(F)F
InChIInChI=1S/C4H5F3O/c1-3(2-8)4(5,6)7/h2-3H,1H3/t3-/m1/s1
InChIKeyQLHMHPBDSYKXRI-GSVOUGTGSA-N
XLogP1.38
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.08
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-2-methylpropanal?
The IUPAC name of (2R)-3,3,3-trifluoro-2-methylpropanal (CID 7023094) is (2R)-3,3,3-trifluoro-2-methylpropanal.
What is the SMILES notation for (2R)-3,3,3-trifluoro-2-methylpropanal?
The canonical SMILES for (2R)-3,3,3-trifluoro-2-methylpropanal is C[C@H](C=O)C(F)(F)F.
What is the InChIKey of (2R)-3,3,3-trifluoro-2-methylpropanal?
The InChIKey is QLHMHPBDSYKXRI-GSVOUGTGSA-N. The full InChI is InChI=1S/C4H5F3O/c1-3(2-8)4(5,6)7/h2-3H,1H3/t3-/m1/s1.
What are the key properties of (2R)-3,3,3-trifluoro-2-methylpropanal?
(2R)-3,3,3-trifluoro-2-methylpropanal has a molecular weight of 126.08 g/mol, XLogP of 1.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,3-trifluoro-2-methylpropanal is sourced from PubChem (CID 7023094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).