1-(2-methylprop-2-enyl)-2-(trifluoromethyl)pyrrolidine

C9H14F3N — CID 163590861

IUPAC1-(2-methylprop-2-enyl)-2-(trifluoromethyl)pyrrolidine
SMILESC=C(C)CN1CCCC1C(F)(F)F
InChIInChI=1S/C9H14F3N/c1-7(2)6-13-5-3-4-8(13)9(10,11)12/h8H,1,3-6H2,2H3
InChIKeyGPKQKVFJGHFYRA-UHFFFAOYSA-N
MW193.21 g/mol
LogP2.59
Rot. Bonds2

About 1-(2-methylprop-2-enyl)-2-(trifluoromethyl)pyrrolidine

1-(2-methylprop-2-enyl)-2-(trifluoromethyl)pyrrolidine (PubChem CID 163590861) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-(2-methylprop-2-enyl)-2-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-methylprop-2-enyl)-2-(trifluoromethyl)pyrrolidine
PubChem CID163590861
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name1-(2-methylprop-2-enyl)-2-(trifluoromethyl)pyrrolidine
SMILESC=C(C)CN1CCCC1C(F)(F)F
InChIInChI=1S/C9H14F3N/c1-7(2)6-13-5-3-4-8(13)9(10,11)12/h8H,1,3-6H2,2H3
InChIKeyGPKQKVFJGHFYRA-UHFFFAOYSA-N
XLogP2.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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

4,4,4-trifluoro-N-(2-methylprop-2-enyl)-N-propan-2-ylbutan-1-amine
CID 121474445
1-(1,1,1,3,3-Pentafluoro-4-methylpent-4-en-2-yl)pyrrolidine
CID 124118200
4-(Difluoromethylidene)-1,2-dimethylpyrrolidine
CID 126641525
1-[1-Fluoro-2-(trifluoromethyl)prop-2-enyl]pyrrolidine
CID 129207795
1-Prop-1-en-2-yl-2-(trifluoromethyl)pyrrolidine
CID 164168515
(2R,4S)-4-fluoro-1-methyl-2-prop-1-en-2-ylpyrrolidine
CID 166928477
(4E)-2-ethyl-4-(fluoromethylidene)-1-methylpyrrolidine
CID 169130389
(4Z)-2-ethyl-4-(fluoromethylidene)-1-methylpyrrolidine
CID 172577359
(4E)-4-(fluoromethylidene)-1,2-dimethylpyrrolidine
CID 172577484
1-Tert-butyl-3-(difluoromethylidene)-2-methylpyrrolidine
CID 175570338
3-(Difluoromethylidene)-2-ethyl-1-methylpyrrolidine
CID 177053637
4-(Difluoromethylidene)-2-ethyl-1-methylpyrrolidine
CID 177054109

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylprop-2-enyl)-2-(trifluoromethyl)pyrrolidine?
The IUPAC name of 1-(2-methylprop-2-enyl)-2-(trifluoromethyl)pyrrolidine (CID 163590861) is 1-(2-methylprop-2-enyl)-2-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 1-(2-methylprop-2-enyl)-2-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 1-(2-methylprop-2-enyl)-2-(trifluoromethyl)pyrrolidine is C=C(C)CN1CCCC1C(F)(F)F.
What is the InChIKey of 1-(2-methylprop-2-enyl)-2-(trifluoromethyl)pyrrolidine?
The InChIKey is GPKQKVFJGHFYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3N/c1-7(2)6-13-5-3-4-8(13)9(10,11)12/h8H,1,3-6H2,2H3.
What are the key properties of 1-(2-methylprop-2-enyl)-2-(trifluoromethyl)pyrrolidine?
1-(2-methylprop-2-enyl)-2-(trifluoromethyl)pyrrolidine has a molecular weight of 193.21 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylprop-2-enyl)-2-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 163590861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).