3-(trifluoromethyl)pyrrolidine-1-carbaldehyde

C6H8F3NO — CID 130507448

IUPAC3-(trifluoromethyl)pyrrolidine-1-carbaldehyde
SMILESO=CN1CCC(C(F)(F)F)C1
InChIInChI=1S/C6H8F3NO/c7-6(8,9)5-1-2-10(3-5)4-11/h4-5H,1-3H2
InChIKeyCJAUXVDOZIAFSY-UHFFFAOYSA-N
MW167.13 g/mol
LogP1.03
Rot. Bonds1

About 3-(trifluoromethyl)pyrrolidine-1-carbaldehyde

3-(trifluoromethyl)pyrrolidine-1-carbaldehyde (PubChem CID 130507448) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is 3-(trifluoromethyl)pyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name3-(trifluoromethyl)pyrrolidine-1-carbaldehyde
PubChem CID130507448
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC Name3-(trifluoromethyl)pyrrolidine-1-carbaldehyde
SMILESO=CN1CCC(C(F)(F)F)C1
InChIInChI=1S/C6H8F3NO/c7-6(8,9)5-1-2-10(3-5)4-11/h4-5H,1-3H2
InChIKeyCJAUXVDOZIAFSY-UHFFFAOYSA-N
XLogP1.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-Trifluoro-1-(3-methylpyrrolidin-1-yl)ethan-1-one
CID 45080837
3-Fluoropyrrolidine-1-carbaldehyde
CID 17842503
2,2,2-trifluoro-1-[(3S)-3-methylpyrrolidin-1-yl]ethanone
CID 45080814
2,2,2-Trifluoro-1-[(3R)-3-methylpyrrolidin-1-yl]ethan-1-one
CID 45080815
3,3-Difluoropyrrolidine-1-carbaldehyde
CID 57455265
1-[3-(Trifluoromethyl)pyrrolidin-1-yl]ethanone
CID 69087797
2-Fluoropyrrolidine-1-carbaldehyde
CID 87193274
3,4-Difluoropyrrolidine-1-carbaldehyde
CID 87779291
(3R,4S)-3,4-difluoropyrrolidine-1-carbaldehyde
CID 87779292
(3R)-3-fluoropyrrolidine-1-carbaldehyde
CID 89120709
2,2-Difluoropyrrolidine-1-carbaldehyde
CID 90999327
3-(trifluoromethyl)pyrrolidine-1-carbothioic S-acid
CID 91401772

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)pyrrolidine-1-carbaldehyde?
The IUPAC name of 3-(trifluoromethyl)pyrrolidine-1-carbaldehyde (CID 130507448) is 3-(trifluoromethyl)pyrrolidine-1-carbaldehyde.
What is the SMILES notation for 3-(trifluoromethyl)pyrrolidine-1-carbaldehyde?
The canonical SMILES for 3-(trifluoromethyl)pyrrolidine-1-carbaldehyde is O=CN1CCC(C(F)(F)F)C1.
What is the InChIKey of 3-(trifluoromethyl)pyrrolidine-1-carbaldehyde?
The InChIKey is CJAUXVDOZIAFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c7-6(8,9)5-1-2-10(3-5)4-11/h4-5H,1-3H2.
What are the key properties of 3-(trifluoromethyl)pyrrolidine-1-carbaldehyde?
3-(trifluoromethyl)pyrrolidine-1-carbaldehyde has a molecular weight of 167.13 g/mol, XLogP of 1.03, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)pyrrolidine-1-carbaldehyde is sourced from PubChem (CID 130507448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).