2-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]acetaldehyde

C6H10F3NO — CID 174900742

IUPAC2-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]acetaldehyde
SMILESCC[C@@H](NCC=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-2-5(6(7,8)9)10-3-4-11/h4-5,10H,2-3H2,1H3/t5-/m1/s1
InChIKeySHSXRZROEJCBFB-RXMQYKEDSA-N
MW169.15 g/mol
LogP1.12
Rot. Bonds4

About 2-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]acetaldehyde

2-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]acetaldehyde (PubChem CID 174900742) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is 2-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]acetaldehyde.

Molecular Properties

Compound Name2-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]acetaldehyde
PubChem CID174900742
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name2-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]acetaldehyde
SMILESCC[C@@H](NCC=O)C(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-2-5(6(7,8)9)10-3-4-11/h4-5,10H,2-3H2,1H3/t5-/m1/s1
InChIKeySHSXRZROEJCBFB-RXMQYKEDSA-N
XLogP1.12
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]acetaldehyde?
The IUPAC name of 2-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]acetaldehyde (CID 174900742) is 2-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]acetaldehyde.
What is the SMILES notation for 2-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]acetaldehyde?
The canonical SMILES for 2-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]acetaldehyde is CC[C@@H](NCC=O)C(F)(F)F.
What is the InChIKey of 2-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]acetaldehyde?
The InChIKey is SHSXRZROEJCBFB-RXMQYKEDSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-2-5(6(7,8)9)10-3-4-11/h4-5,10H,2-3H2,1H3/t5-/m1/s1.
What are the key properties of 2-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]acetaldehyde?
2-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]acetaldehyde has a molecular weight of 169.15 g/mol, XLogP of 1.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]acetaldehyde is sourced from PubChem (CID 174900742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).