1-[4-(trifluoromethoxy)phenyl]pyrazolidine

C10H11F3N2O — CID 141290039

IUPAC1-[4-(trifluoromethoxy)phenyl]pyrazolidine
SMILESFC(F)(F)Oc1ccc(N2CCCN2)cc1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)16-9-4-2-8(3-5-9)15-7-1-6-14-15/h2-5,14H,1,6-7H2
InChIKeyMSHMCJNCWDRQSC-UHFFFAOYSA-N
MW232.20 g/mol
LogP2.30
Rot. Bonds2

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

1-[4-(trifluoromethoxy)phenyl]pyrazolidine (PubChem CID 141290039) has the molecular formula C10H11F3N2O and a molecular weight of 232.20 g/mol. Its IUPAC name is 1-[4-(trifluoromethoxy)phenyl]pyrazolidine.

Molecular Properties

Compound Name1-[4-(trifluoromethoxy)phenyl]pyrazolidine
PubChem CID141290039
Molecular FormulaC10H11F3N2O
Molecular Weight232.20 g/mol
Exact Mass232.08
IUPAC Name1-[4-(trifluoromethoxy)phenyl]pyrazolidine
SMILESFC(F)(F)Oc1ccc(N2CCCN2)cc1
InChIInChI=1S/C10H11F3N2O/c11-10(12,13)16-9-4-2-8(3-5-9)15-7-1-6-14-15/h2-5,14H,1,6-7H2
InChIKeyMSHMCJNCWDRQSC-UHFFFAOYSA-N
XLogP2.30
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(trifluoromethoxy)phenyl]piperazine;hydrochloride
CID 86767631
4-(diazepan-1-yl)-2-(trifluoromethoxy)benzaldehyde
CID 118174811
4-deuterio-1-[4-(trifluoromethoxy)phenyl]piperidine
CID 175691853
1-[4-(trifluoromethoxy)phenyl]pyrazolidine-3-carbaldehyde
CID 174818215
1-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-diazepane;hydrochloride
CID 119906729
3-propan-2-yl-1-[4-(trifluoromethoxy)phenyl]-1,4-diazepane
CID 64941897
1-[bis[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 18348182
(9aS)-3-[4-(trifluoromethoxy)phenyl]-2,6,7,8,9,9a-hexahydro-1H-pyrazino[1,2-d][1,2,4]triazin-4-one
CID 137359087
(S)-(4-pyrrolidin-1-ylphenyl)-[4-(trifluoromethoxy)phenyl]methanamine
CID 171252024
1-[4-(trifluoromethoxy)phenoxy]piperidine
CID 56985535
1-hydroxy-3-[4-(trifluoromethoxy)phenyl]-2H-triazole
CID 23048508
1-[4-(trifluoromethoxy)phenyl]piperidin-3-ol
CID 71226421

Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethoxy)phenyl]pyrazolidine?
The IUPAC name of 1-[4-(trifluoromethoxy)phenyl]pyrazolidine (CID 141290039) is 1-[4-(trifluoromethoxy)phenyl]pyrazolidine.
What is the SMILES notation for 1-[4-(trifluoromethoxy)phenyl]pyrazolidine?
The canonical SMILES for 1-[4-(trifluoromethoxy)phenyl]pyrazolidine is FC(F)(F)Oc1ccc(N2CCCN2)cc1.
What is the InChIKey of 1-[4-(trifluoromethoxy)phenyl]pyrazolidine?
The InChIKey is MSHMCJNCWDRQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O/c11-10(12,13)16-9-4-2-8(3-5-9)15-7-1-6-14-15/h2-5,14H,1,6-7H2.
What are the key properties of 1-[4-(trifluoromethoxy)phenyl]pyrazolidine?
1-[4-(trifluoromethoxy)phenyl]pyrazolidine has a molecular weight of 232.20 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethoxy)phenyl]pyrazolidine is sourced from PubChem (CID 141290039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).