(4S)-4-(difluoromethyl)-1,3-oxazolidine-2-carbaldehyde

C5H7F2NO2 — CID 175055970

IUPAC(4S)-4-(difluoromethyl)-1,3-oxazolidine-2-carbaldehyde
SMILESO=CC1N[C@H](C(F)F)CO1
InChIInChI=1S/C5H7F2NO2/c6-5(7)3-2-10-4(1-9)8-3/h1,3-5,8H,2H2/t3-,4?/m0/s1
InChIKeyZXKUEJMMYLNUSL-WUCPZUCCSA-N
MW151.11 g/mol
LogP-0.24
Rot. Bonds2

About (4S)-4-(difluoromethyl)-1,3-oxazolidine-2-carbaldehyde

(4S)-4-(difluoromethyl)-1,3-oxazolidine-2-carbaldehyde (PubChem CID 175055970) has the molecular formula C5H7F2NO2 and a molecular weight of 151.11 g/mol. Its IUPAC name is (4S)-4-(difluoromethyl)-1,3-oxazolidine-2-carbaldehyde.

Molecular Properties

Compound Name(4S)-4-(difluoromethyl)-1,3-oxazolidine-2-carbaldehyde
PubChem CID175055970
Molecular FormulaC5H7F2NO2
Molecular Weight151.11 g/mol
Exact Mass151.04
IUPAC Name(4S)-4-(difluoromethyl)-1,3-oxazolidine-2-carbaldehyde
SMILESO=CC1N[C@H](C(F)F)CO1
InChIInChI=1S/C5H7F2NO2/c6-5(7)3-2-10-4(1-9)8-3/h1,3-5,8H,2H2/t3-,4?/m0/s1
InChIKeyZXKUEJMMYLNUSL-WUCPZUCCSA-N
XLogP-0.24
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.11
LogP ≤ 5-0.24
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
2-(Trifluoromethyl)-1,3-oxazolidine-4-carbaldehyde
CID 174372294
5-(Fluoromethyl)-1,3-oxazolidine-2-carbaldehyde
CID 174487179
4-(Fluoromethyl)-1,3-oxazolidine-2-carbaldehyde
CID 174773836
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
4-Ethyl-1,3-oxazolidine-2-carbaldehyde
CID 174266117
(4S)-4-methyl-1,3-oxazolidine-2-carbaldehyde
CID 174476028
4-Methyl-1,3-oxazolidine-2-carbaldehyde
CID 174476029
(4S)-4-ethyl-1,3-oxazolidine-2-carbaldehyde
CID 174489448

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(difluoromethyl)-1,3-oxazolidine-2-carbaldehyde?
The IUPAC name of (4S)-4-(difluoromethyl)-1,3-oxazolidine-2-carbaldehyde (CID 175055970) is (4S)-4-(difluoromethyl)-1,3-oxazolidine-2-carbaldehyde.
What is the SMILES notation for (4S)-4-(difluoromethyl)-1,3-oxazolidine-2-carbaldehyde?
The canonical SMILES for (4S)-4-(difluoromethyl)-1,3-oxazolidine-2-carbaldehyde is O=CC1N[C@H](C(F)F)CO1.
What is the InChIKey of (4S)-4-(difluoromethyl)-1,3-oxazolidine-2-carbaldehyde?
The InChIKey is ZXKUEJMMYLNUSL-WUCPZUCCSA-N. The full InChI is InChI=1S/C5H7F2NO2/c6-5(7)3-2-10-4(1-9)8-3/h1,3-5,8H,2H2/t3-,4?/m0/s1.
What are the key properties of (4S)-4-(difluoromethyl)-1,3-oxazolidine-2-carbaldehyde?
(4S)-4-(difluoromethyl)-1,3-oxazolidine-2-carbaldehyde has a molecular weight of 151.11 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(difluoromethyl)-1,3-oxazolidine-2-carbaldehyde is sourced from PubChem (CID 175055970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).