3-propan-2-ylidene-1-(2,2,2-trifluoroethyl)pyrrolidine

C9H14F3N — CID 138507099

IUPAC3-propan-2-ylidene-1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESCC(C)=C1CCN(CC(F)(F)F)C1
InChIInChI=1S/C9H14F3N/c1-7(2)8-3-4-13(5-8)6-9(10,11)12/h3-6H2,1-2H3
InChIKeyYTQOERFVKUQJSY-UHFFFAOYSA-N
MW193.21 g/mol
LogP2.59
Rot. Bonds1

About 3-propan-2-ylidene-1-(2,2,2-trifluoroethyl)pyrrolidine

3-propan-2-ylidene-1-(2,2,2-trifluoroethyl)pyrrolidine (PubChem CID 138507099) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is 3-propan-2-ylidene-1-(2,2,2-trifluoroethyl)pyrrolidine.

Molecular Properties

Compound Name3-propan-2-ylidene-1-(2,2,2-trifluoroethyl)pyrrolidine
PubChem CID138507099
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name3-propan-2-ylidene-1-(2,2,2-trifluoroethyl)pyrrolidine
SMILESCC(C)=C1CCN(CC(F)(F)F)C1
InChIInChI=1S/C9H14F3N/c1-7(2)8-3-4-13(5-8)6-9(10,11)12/h3-6H2,1-2H3
InChIKeyYTQOERFVKUQJSY-UHFFFAOYSA-N
XLogP2.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Pyrrolidinoperfluoro-2-methyl-2-pentene
CID 13196941
1-[1,1,1,2,3,5,5,5-Octafluoro-4-(trifluoromethyl)pent-3-en-2-yl]pyrrolidine
CID 13196945
1-Methyl-3-(2,2,2-trifluoroethyl)-2,5-dihydropyrrole
CID 117205457
1-(1,2,2-Trifluoro-3-methylbut-3-enyl)pyrrolidine
CID 124118180
1-[1,1,1-Trifluoro-2-(trifluoromethyl)pent-2-en-3-yl]pyrrolidine
CID 132234557
1-[(2E)-2-ethyl-5-methylhexa-2,4-dienyl]-3,3-difluoropyrrolidine
CID 139317991
1-(Difluoromethyl)-3,4-di(propan-2-yl)-2,5-dihydropyrrole
CID 140596337
(3Z)-3-ethylidene-4-fluoro-1-methylpyrrolidine
CID 146569442
(3E)-1-methyl-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine
CID 155160731
(3Z)-1-methyl-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine
CID 155160951
3-(Difluoromethylidene)-1-methylpyrrolidine
CID 167272214
1-Tert-butyl-3-(difluoromethylidene)pyrrolidine
CID 176805116

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylidene-1-(2,2,2-trifluoroethyl)pyrrolidine?
The IUPAC name of 3-propan-2-ylidene-1-(2,2,2-trifluoroethyl)pyrrolidine (CID 138507099) is 3-propan-2-ylidene-1-(2,2,2-trifluoroethyl)pyrrolidine.
What is the SMILES notation for 3-propan-2-ylidene-1-(2,2,2-trifluoroethyl)pyrrolidine?
The canonical SMILES for 3-propan-2-ylidene-1-(2,2,2-trifluoroethyl)pyrrolidine is CC(C)=C1CCN(CC(F)(F)F)C1.
What is the InChIKey of 3-propan-2-ylidene-1-(2,2,2-trifluoroethyl)pyrrolidine?
The InChIKey is YTQOERFVKUQJSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N/c1-7(2)8-3-4-13(5-8)6-9(10,11)12/h3-6H2,1-2H3.
What are the key properties of 3-propan-2-ylidene-1-(2,2,2-trifluoroethyl)pyrrolidine?
3-propan-2-ylidene-1-(2,2,2-trifluoroethyl)pyrrolidine has a molecular weight of 193.21 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylidene-1-(2,2,2-trifluoroethyl)pyrrolidine is sourced from PubChem (CID 138507099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).