5,5,5-trifluoro-2-(methylamino)pentanal

C6H10F3NO — CID 118473307

IUPAC5,5,5-trifluoro-2-(methylamino)pentanal
SMILESCNC(C=O)CCC(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-10-5(4-11)2-3-6(7,8)9/h4-5,10H,2-3H2,1H3
InChIKeyAWOUUYSLRBAESN-UHFFFAOYSA-N
MW169.15 g/mol
LogP1.12
Rot. Bonds4

About 5,5,5-trifluoro-2-(methylamino)pentanal

5,5,5-trifluoro-2-(methylamino)pentanal (PubChem CID 118473307) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is 5,5,5-trifluoro-2-(methylamino)pentanal.

Molecular Properties

Compound Name5,5,5-trifluoro-2-(methylamino)pentanal
PubChem CID118473307
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name5,5,5-trifluoro-2-(methylamino)pentanal
SMILESCNC(C=O)CCC(F)(F)F
InChIInChI=1S/C6H10F3NO/c1-10-5(4-11)2-3-6(7,8)9/h4-5,10H,2-3H2,1H3
InChIKeyAWOUUYSLRBAESN-UHFFFAOYSA-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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Related Compounds

4-Fluoro-4-methyl-2-(methylamino)pentanal
CID 59718854
2-Amino-5,5,5-trifluoropentanal
CID 89011562
N-[(2S)-5-fluoro-1-oxopentan-2-yl]formamide
CID 89101486
2-(Ethylamino)-5,5,5-trifluoropentanal
CID 118473313
6,6,6-Trifluoro-3-(methylamino)hexan-2-one
CID 130440232
4,4-difluoropyrrolidine-2-carbaldehyde;N-methylmethanamine
CID 144847262
5-Fluoro-4-(methylamino)pentanal
CID 146366173
(2S)-6,6,6-trifluoro-2-(methylamino)hexanal
CID 170111611
2-(Methylamino)pentanoyl fluoride
CID 170597549
2-(1,1,2,2,3,3,4-Heptafluorobutylamino)propanal
CID 173231442
2-[[(2R)-1,1,1-trifluorobutan-2-yl]amino]acetaldehyde
CID 174900742
2-(Fluoromethylamino)butanal
CID 174927053

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-2-(methylamino)pentanal?
The IUPAC name of 5,5,5-trifluoro-2-(methylamino)pentanal (CID 118473307) is 5,5,5-trifluoro-2-(methylamino)pentanal.
What is the SMILES notation for 5,5,5-trifluoro-2-(methylamino)pentanal?
The canonical SMILES for 5,5,5-trifluoro-2-(methylamino)pentanal is CNC(C=O)CCC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-2-(methylamino)pentanal?
The InChIKey is AWOUUYSLRBAESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-10-5(4-11)2-3-6(7,8)9/h4-5,10H,2-3H2,1H3.
What are the key properties of 5,5,5-trifluoro-2-(methylamino)pentanal?
5,5,5-trifluoro-2-(methylamino)pentanal 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 5,5,5-trifluoro-2-(methylamino)pentanal is sourced from PubChem (CID 118473307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).