4-(fluoromethyl)-1,3-oxazolidine-2-carbaldehyde

C5H8FNO2 — CID 174773836

IUPAC4-(fluoromethyl)-1,3-oxazolidine-2-carbaldehyde
SMILESO=CC1NC(CF)CO1
InChIInChI=1S/C5H8FNO2/c6-1-4-3-9-5(2-8)7-4/h2,4-5,7H,1,3H2
InChIKeyYDJFMDSJQYPDBT-UHFFFAOYSA-N
MW133.12 g/mol
LogP-0.53
Rot. Bonds2

About 4-(fluoromethyl)-1,3-oxazolidine-2-carbaldehyde

4-(fluoromethyl)-1,3-oxazolidine-2-carbaldehyde (PubChem CID 174773836) has the molecular formula C5H8FNO2 and a molecular weight of 133.12 g/mol. Its IUPAC name is 4-(fluoromethyl)-1,3-oxazolidine-2-carbaldehyde.

Molecular Properties

Compound Name4-(fluoromethyl)-1,3-oxazolidine-2-carbaldehyde
PubChem CID174773836
Molecular FormulaC5H8FNO2
Molecular Weight133.12 g/mol
Exact Mass133.05
IUPAC Name4-(fluoromethyl)-1,3-oxazolidine-2-carbaldehyde
SMILESO=CC1NC(CF)CO1
InChIInChI=1S/C5H8FNO2/c6-1-4-3-9-5(2-8)7-4/h2,4-5,7H,1,3H2
InChIKeyYDJFMDSJQYPDBT-UHFFFAOYSA-N
XLogP-0.53
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.12
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Oxazolidine aldehyde
CID 22602326
5-(Fluoromethyl)-1,3-oxazolidine-2-carbaldehyde
CID 174487179
(4S)-4-(difluoromethyl)-1,3-oxazolidine-2-carbaldehyde
CID 175055970
4,4-Bis(difluoromethyl)-1,3-oxazolidine-2-carbaldehyde
CID 175344961
4-(Difluoromethyl)-1,3-oxazolidine-2-carbaldehyde
CID 175344962
(2R)-1,3-oxazolidine-2-carbaldehyde
CID 88032270
(2S)-1,3-oxazolidine-2-carbaldehyde
CID 88032324
ethane;(2S)-1,3-oxazolidine-2-carbaldehyde
CID 142393598
4,4-Dimethyl-1,3-oxazolidine-2-carbaldehyde
CID 148547039
4-Ethyl-1,3-oxazolidine-2-carbaldehyde
CID 174266117
2-Methyl-1,3-oxazolidine-2-carbaldehyde
CID 174314904
5-Methyl-1,3-oxazolidine-2-carbaldehyde
CID 174455214

Frequently Asked Questions

What is the IUPAC name of 4-(fluoromethyl)-1,3-oxazolidine-2-carbaldehyde?
The IUPAC name of 4-(fluoromethyl)-1,3-oxazolidine-2-carbaldehyde (CID 174773836) is 4-(fluoromethyl)-1,3-oxazolidine-2-carbaldehyde.
What is the SMILES notation for 4-(fluoromethyl)-1,3-oxazolidine-2-carbaldehyde?
The canonical SMILES for 4-(fluoromethyl)-1,3-oxazolidine-2-carbaldehyde is O=CC1NC(CF)CO1.
What is the InChIKey of 4-(fluoromethyl)-1,3-oxazolidine-2-carbaldehyde?
The InChIKey is YDJFMDSJQYPDBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO2/c6-1-4-3-9-5(2-8)7-4/h2,4-5,7H,1,3H2.
What are the key properties of 4-(fluoromethyl)-1,3-oxazolidine-2-carbaldehyde?
4-(fluoromethyl)-1,3-oxazolidine-2-carbaldehyde has a molecular weight of 133.12 g/mol, XLogP of -0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(fluoromethyl)-1,3-oxazolidine-2-carbaldehyde is sourced from PubChem (CID 174773836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).