1-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carbaldehyde

C11H11F3N2O2 — CID 174818215

IUPAC1-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carbaldehyde
SMILESO=CC1CCN(c2ccc(OC(F)(F)F)cc2)N1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)18-10-3-1-9(2-4-10)16-6-5-8(7-17)15-16/h1-4,7-8,15H,5-6H2
InChIKeyPAMCQZQOYYKXSI-UHFFFAOYSA-N
MW260.22 g/mol
LogP1.87
Rot. Bonds3

About 1-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carbaldehyde

1-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carbaldehyde (PubChem CID 174818215) has the molecular formula C11H11F3N2O2 and a molecular weight of 260.22 g/mol. Its IUPAC name is 1-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carbaldehyde.

Molecular Properties

Compound Name1-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carbaldehyde
PubChem CID174818215
Molecular FormulaC11H11F3N2O2
Molecular Weight260.22 g/mol
Exact Mass260.08
IUPAC Name1-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carbaldehyde
SMILESO=CC1CCN(c2ccc(OC(F)(F)F)cc2)N1
InChIInChI=1S/C11H11F3N2O2/c12-11(13,14)18-10-3-1-9(2-4-10)16-6-5-8(7-17)15-16/h1-4,7-8,15H,5-6H2
InChIKeyPAMCQZQOYYKXSI-UHFFFAOYSA-N
XLogP1.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.22
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(trifluoromethoxy)phenyl]pyrazolidine
CID 141290039
1-[4-(trifluoromethoxy)phenyl]piperazine;hydrochloride
CID 86767631
(3aR,7aS)-2-[4-(trifluoromethoxy)phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 98353834
(2R)-1-[4-(trifluoromethoxy)phenyl]pyrrolidine-2-carboxylic acid
CID 118058322
1-[4-(trifluoromethoxy)phenyl]piperidin-3-ol
CID 71226421
4-methylidene-1-[4-(trifluoromethoxy)phenyl]azetidin-2-one
CID 171061640
(3aR,7aS)-1-[4-(trifluoromethoxy)phenyl]-2,3,3a,4,5,6,7,7a-octahydropyrrolo[3,2-c]pyridine
CID 169122934
N-[1-[4-(trifluoromethoxy)phenyl]piperidin-4-yl]acetamide
CID 60583825
7-[4-(trifluoromethoxy)phenyl]-5,7-diazaspiro[3.4]octane-6,8-dione
CID 115564979
4-deuterio-1-[4-(trifluoromethoxy)phenyl]piperidine
CID 175691853
ethane;1-[4-(trifluoromethoxy)phenyl]piperidin-3-amine
CID 142618828
4-[4-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]phenol
CID 70874455

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carbaldehyde?
The IUPAC name of 1-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carbaldehyde (CID 174818215) is 1-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carbaldehyde.
What is the SMILES notation for 1-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carbaldehyde?
The canonical SMILES for 1-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carbaldehyde is O=CC1CCN(c2ccc(OC(F)(F)F)cc2)N1.
What is the InChIKey of 1-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carbaldehyde?
The InChIKey is PAMCQZQOYYKXSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O2/c12-11(13,14)18-10-3-1-9(2-4-10)16-6-5-8(7-17)15-16/h1-4,7-8,15H,5-6H2.
What are the key properties of 1-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carbaldehyde?
1-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carbaldehyde has a molecular weight of 260.22 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carbaldehyde is sourced from PubChem (CID 174818215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).