4-fluoro-4-methyl-2-(methylamino)pentanal

C7H14FNO — CID 59718854

IUPAC4-fluoro-4-methyl-2-(methylamino)pentanal
SMILESCNC(C=O)CC(C)(C)F
InChIInChI=1S/C7H14FNO/c1-7(2,8)4-6(5-10)9-3/h5-6,9H,4H2,1-3H3
InChIKeyVVCMHLQOVSJLPE-UHFFFAOYSA-N
MW147.19 g/mol
LogP0.91
Rot. Bonds4

About 4-fluoro-4-methyl-2-(methylamino)pentanal

4-fluoro-4-methyl-2-(methylamino)pentanal (PubChem CID 59718854) has the molecular formula C7H14FNO and a molecular weight of 147.19 g/mol. Its IUPAC name is 4-fluoro-4-methyl-2-(methylamino)pentanal.

Molecular Properties

Compound Name4-fluoro-4-methyl-2-(methylamino)pentanal
PubChem CID59718854
Molecular FormulaC7H14FNO
Molecular Weight147.19 g/mol
Exact Mass147.11
IUPAC Name4-fluoro-4-methyl-2-(methylamino)pentanal
SMILESCNC(C=O)CC(C)(C)F
InChIInChI=1S/C7H14FNO/c1-7(2,8)4-6(5-10)9-3/h5-6,9H,4H2,1-3H3
InChIKeyVVCMHLQOVSJLPE-UHFFFAOYSA-N
XLogP0.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.19
LogP ≤ 50.91
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 4-fluoro-4-methyl-2-(methylamino)pentanal?
The IUPAC name of 4-fluoro-4-methyl-2-(methylamino)pentanal (CID 59718854) is 4-fluoro-4-methyl-2-(methylamino)pentanal.
What is the SMILES notation for 4-fluoro-4-methyl-2-(methylamino)pentanal?
The canonical SMILES for 4-fluoro-4-methyl-2-(methylamino)pentanal is CNC(C=O)CC(C)(C)F.
What is the InChIKey of 4-fluoro-4-methyl-2-(methylamino)pentanal?
The InChIKey is VVCMHLQOVSJLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNO/c1-7(2,8)4-6(5-10)9-3/h5-6,9H,4H2,1-3H3.
What are the key properties of 4-fluoro-4-methyl-2-(methylamino)pentanal?
4-fluoro-4-methyl-2-(methylamino)pentanal has a molecular weight of 147.19 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-methyl-2-(methylamino)pentanal is sourced from PubChem (CID 59718854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).