3-(4,4,4-trifluorobutylidene)azetidine

C7H10F3N — CID 115519754

IUPAC3-(4,4,4-trifluorobutylidene)azetidine
SMILESFC(F)(F)CCC=C1CNC1
InChIInChI=1S/C7H10F3N/c8-7(9,10)3-1-2-6-4-11-5-6/h2,11H,1,3-5H2
InChIKeyRIPVRBAHSAJKMJ-UHFFFAOYSA-N
MW165.16 g/mol
LogP1.86
Rot. Bonds2

About 3-(4,4,4-trifluorobutylidene)azetidine

3-(4,4,4-trifluorobutylidene)azetidine (PubChem CID 115519754) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is 3-(4,4,4-trifluorobutylidene)azetidine.

Molecular Properties

Compound Name3-(4,4,4-trifluorobutylidene)azetidine
PubChem CID115519754
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name3-(4,4,4-trifluorobutylidene)azetidine
SMILESFC(F)(F)CCC=C1CNC1
InChIInChI=1S/C7H10F3N/c8-7(9,10)3-1-2-6-4-11-5-6/h2,11H,1,3-5H2
InChIKeyRIPVRBAHSAJKMJ-UHFFFAOYSA-N
XLogP1.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(4Z)-4-(4,4,4-trifluorobutylidene)azepane
CID 103983649
4-(4,4,4-trifluorobutylidene)cyclohexan-1-amine
CID 115519753
(3E)-3-dodecylidenepyrrolidine
CID 134081400
(3Z)-3-(2-tert-butylsulfonylethylidene)pyrrolidine
CID 106735229
1,1,1,2,2,5,5,5-octafluoropentane
CID 22457046
5,5,5-trifluoropent-1-enyl dihydrogen phosphate
CID 175154770
[methyl(3,3,3-trifluoropropyl)silylidene]zirconium(2+)
CID 157065162
1,1,1-trifluoro-8-methylnon-4-ene
CID 123891498
4-fluoro-4-(3,3,3-trifluoropropyl)piperidine
CID 112563135
(E)-6,6,6-trifluorohex-2-enoic acid
CID 87397076
(E)-1,1,1-trifluorodec-4-ene
CID 87295897
5-(2,2,2-trifluoroethyl)-1,2,3,4,6,7-hexahydropyrrolo[3,4-c]pyridine
CID 118962480

Frequently Asked Questions

What is the IUPAC name of 3-(4,4,4-trifluorobutylidene)azetidine?
The IUPAC name of 3-(4,4,4-trifluorobutylidene)azetidine (CID 115519754) is 3-(4,4,4-trifluorobutylidene)azetidine.
What is the SMILES notation for 3-(4,4,4-trifluorobutylidene)azetidine?
The canonical SMILES for 3-(4,4,4-trifluorobutylidene)azetidine is FC(F)(F)CCC=C1CNC1.
What is the InChIKey of 3-(4,4,4-trifluorobutylidene)azetidine?
The InChIKey is RIPVRBAHSAJKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N/c8-7(9,10)3-1-2-6-4-11-5-6/h2,11H,1,3-5H2.
What are the key properties of 3-(4,4,4-trifluorobutylidene)azetidine?
3-(4,4,4-trifluorobutylidene)azetidine has a molecular weight of 165.16 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4,4-trifluorobutylidene)azetidine is sourced from PubChem (CID 115519754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).