4-(trifluoromethyl)pyrrolidine-3-carbaldehyde

C6H8F3NO — CID 166145494

IUPAC4-(trifluoromethyl)pyrrolidine-3-carbaldehyde
SMILESO=CC1CNCC1C(F)(F)F
InChIInChI=1S/C6H8F3NO/c7-6(8,9)5-2-10-1-4(5)3-11/h3-5,10H,1-2H2
InChIKeyOFKUZGWDOVZDPV-UHFFFAOYSA-N
MW167.13 g/mol
LogP0.58
Rot. Bonds1

About 4-(trifluoromethyl)pyrrolidine-3-carbaldehyde

4-(trifluoromethyl)pyrrolidine-3-carbaldehyde (PubChem CID 166145494) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is 4-(trifluoromethyl)pyrrolidine-3-carbaldehyde.

Molecular Properties

Compound Name4-(trifluoromethyl)pyrrolidine-3-carbaldehyde
PubChem CID166145494
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name4-(trifluoromethyl)pyrrolidine-3-carbaldehyde
SMILESO=CC1CNCC1C(F)(F)F
InChIInChI=1S/C6H8F3NO/c7-6(8,9)5-2-10-1-4(5)3-11/h3-5,10H,1-2H2
InChIKeyOFKUZGWDOVZDPV-UHFFFAOYSA-N
XLogP0.58
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 50.58
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

3-(Fluoromethyl)pyrrolidine-3-carbaldehyde
CID 88894890
3-Fluoropyrrolidine-3-carbaldehyde
CID 89379154
(3S,4R)-4-fluoropyrrolidine-3-carbaldehyde
CID 141430830
Pyrrolidine-3-carbonyl fluoride
CID 143563092
3-(Trifluoromethyl)pyrrolidine-3-carbaldehyde
CID 165912318
(3R)-1-(2,2,2-trifluoroethyl)pyrrolidine-3-carbaldehyde
CID 176059997
1-(2,2-Difluoroethyl)pyrrolidine-3-carbaldehyde
CID 84651508
1-(2,2,2-Trifluoroethyl)pyrrolidine-3-carbaldehyde
CID 84657695
2,2-Difluoro-2-pyrrolidin-3-ylacetaldehyde
CID 105429249
1-Methyl-4-(trifluoromethyl)pyrrolidine-3-carbaldehyde
CID 156736471
Pyrrolidine-3-carbaldehyde 2,2,2-trifluoroacetate
CID 162317942
Pyrrolidine-3-carbaldehyde
CID 11521070

Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)pyrrolidine-3-carbaldehyde?
The IUPAC name of 4-(trifluoromethyl)pyrrolidine-3-carbaldehyde (CID 166145494) is 4-(trifluoromethyl)pyrrolidine-3-carbaldehyde.
What is the SMILES notation for 4-(trifluoromethyl)pyrrolidine-3-carbaldehyde?
The canonical SMILES for 4-(trifluoromethyl)pyrrolidine-3-carbaldehyde is O=CC1CNCC1C(F)(F)F.
What is the InChIKey of 4-(trifluoromethyl)pyrrolidine-3-carbaldehyde?
The InChIKey is OFKUZGWDOVZDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c7-6(8,9)5-2-10-1-4(5)3-11/h3-5,10H,1-2H2.
What are the key properties of 4-(trifluoromethyl)pyrrolidine-3-carbaldehyde?
4-(trifluoromethyl)pyrrolidine-3-carbaldehyde has a molecular weight of 167.13 g/mol, XLogP of 0.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)pyrrolidine-3-carbaldehyde is sourced from PubChem (CID 166145494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).