2-(1-tert-butylazetidin-3-yl)-2-fluoroacetaldehyde

C9H16FNO — CID 105435536

IUPAC2-(1-tert-butylazetidin-3-yl)-2-fluoroacetaldehyde
SMILESCC(C)(C)N1CC(C(F)C=O)C1
InChIInChI=1S/C9H16FNO/c1-9(2,3)11-4-7(5-11)8(10)6-12/h6-8H,4-5H2,1-3H3
InChIKeyDDQCGBCQYXKRPI-UHFFFAOYSA-N
MW173.23 g/mol
LogP1.25
Rot. Bonds2

About 2-(1-tert-butylazetidin-3-yl)-2-fluoroacetaldehyde

2-(1-tert-butylazetidin-3-yl)-2-fluoroacetaldehyde (PubChem CID 105435536) has the molecular formula C9H16FNO and a molecular weight of 173.23 g/mol. Its IUPAC name is 2-(1-tert-butylazetidin-3-yl)-2-fluoroacetaldehyde.

Molecular Properties

Compound Name2-(1-tert-butylazetidin-3-yl)-2-fluoroacetaldehyde
PubChem CID105435536
Molecular FormulaC9H16FNO
Molecular Weight173.23 g/mol
Exact Mass173.12
IUPAC Name2-(1-tert-butylazetidin-3-yl)-2-fluoroacetaldehyde
SMILESCC(C)(C)N1CC(C(F)C=O)C1
InChIInChI=1S/C9H16FNO/c1-9(2,3)11-4-7(5-11)8(10)6-12/h6-8H,4-5H2,1-3H3
InChIKeyDDQCGBCQYXKRPI-UHFFFAOYSA-N
XLogP1.25
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.23
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(1-tert-butylazetidin-3-yl)-2-fluoroacetaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-tert-butyl-3-(difluoromethyl)piperidine
CID 176615633
tert-butyl 4-[(1S)-1-fluoro-2-oxoethyl]piperidine-1-carboxylate
CID 126741779
(4S)-1,3-ditert-butyl-4-fluoropyrrolidine
CID 153470719
2-tert-butyl-5-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 154651567
5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 22943643
(3aR,6aS)-5-tert-butyl-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 90292242
1-tert-butylpyrrolidine-3,4-diamine
CID 89335821
2-tert-butyl-5-[2-(2-methyl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)propyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole
CID 129146261
2-(1-tert-butylpiperidin-3-yl)-2-fluoroethanamine
CID 105454874
1-(1-tert-butylpyrrolidin-3-yl)-2-fluoroethanol
CID 66815505
1-tert-butylazetidine-3-thiol;methane
CID 157446837
(3aR,7aS)-2-tert-butyl-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 58968201

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butylazetidin-3-yl)-2-fluoroacetaldehyde?
The IUPAC name of 2-(1-tert-butylazetidin-3-yl)-2-fluoroacetaldehyde (CID 105435536) is 2-(1-tert-butylazetidin-3-yl)-2-fluoroacetaldehyde.
What is the SMILES notation for 2-(1-tert-butylazetidin-3-yl)-2-fluoroacetaldehyde?
The canonical SMILES for 2-(1-tert-butylazetidin-3-yl)-2-fluoroacetaldehyde is CC(C)(C)N1CC(C(F)C=O)C1.
What is the InChIKey of 2-(1-tert-butylazetidin-3-yl)-2-fluoroacetaldehyde?
The InChIKey is DDQCGBCQYXKRPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNO/c1-9(2,3)11-4-7(5-11)8(10)6-12/h6-8H,4-5H2,1-3H3.
What are the key properties of 2-(1-tert-butylazetidin-3-yl)-2-fluoroacetaldehyde?
2-(1-tert-butylazetidin-3-yl)-2-fluoroacetaldehyde has a molecular weight of 173.23 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butylazetidin-3-yl)-2-fluoroacetaldehyde is sourced from PubChem (CID 105435536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).