1-[(Z)-but-2-en-2-yl]-3-(trifluoromethyl)pyrrolidine

C9H14F3N — CID 165128792

IUPAC1-[(Z)-but-2-en-2-yl]-3-(trifluoromethyl)pyrrolidine
SMILESC/C=C(/C)N1CCC(C(F)(F)F)C1
InChIInChI=1S/C9H14F3N/c1-3-7(2)13-5-4-8(6-13)9(10,11)12/h3,8H,4-6H2,1-2H3/b7-3-
InChIKeySPHNCDLCLMWPHM-CLTKARDFSA-N
MW193.21 g/mol
LogP2.79
Rot. Bonds1

About 1-[(Z)-but-2-en-2-yl]-3-(trifluoromethyl)pyrrolidine

1-[(Z)-but-2-en-2-yl]-3-(trifluoromethyl)pyrrolidine (PubChem CID 165128792) has the molecular formula C9H14F3N and a molecular weight of 193.21 g/mol. Its IUPAC name is 1-[(Z)-but-2-en-2-yl]-3-(trifluoromethyl)pyrrolidine.

Molecular Properties

Compound Name1-[(Z)-but-2-en-2-yl]-3-(trifluoromethyl)pyrrolidine
PubChem CID165128792
Molecular FormulaC9H14F3N
Molecular Weight193.21 g/mol
Exact Mass193.11
IUPAC Name1-[(Z)-but-2-en-2-yl]-3-(trifluoromethyl)pyrrolidine
SMILESC/C=C(/C)N1CCC(C(F)(F)F)C1
InChIInChI=1S/C9H14F3N/c1-3-7(2)13-5-4-8(6-13)9(10,11)12/h3,8H,4-6H2,1-2H3/b7-3-
InChIKeySPHNCDLCLMWPHM-CLTKARDFSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[(E)-4,4,4-trifluorobut-2-en-2-yl]pyrrolidine
CID 129271802
4,4-Difluoro-2,3-dimethyl-1-prop-1-en-2-ylpyrrolidine
CID 142433939
3,3-Difluoro-1-prop-1-en-2-ylpyrrolidine
CID 143542129
4-Ethyl-3,3-difluoro-1-prop-1-en-2-ylpyrrolidine
CID 156329290
N-(3,3-difluoropropyl)-3-methyl-N-prop-1-en-2-ylbutan-1-amine
CID 166105305
methane;(3S)-1-prop-1-en-2-yl-3-(2,2,2-trifluoroethyl)pyrrolidine
CID 169130853
1-(4,4-Difluorobut-1-en-2-yl)-3-methylpyrrolidine
CID 170768263
1-[(Z)-but-2-en-2-yl]-3,3-difluoropyrrolidine
CID 143653006
3,3-Difluoro-1-(3-methylbut-1-en-2-yl)pyrrolidine
CID 159621822
(3S)-1-prop-1-en-2-yl-3-(2,2,2-trifluoroethyl)pyrrolidine
CID 169130854
3-Methyl-1-prop-1-en-2-ylpyrrolidine
CID 90249054
(3R)-3-methyl-1-prop-1-en-2-ylpyrrolidine
CID 145621250

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-but-2-en-2-yl]-3-(trifluoromethyl)pyrrolidine?
The IUPAC name of 1-[(Z)-but-2-en-2-yl]-3-(trifluoromethyl)pyrrolidine (CID 165128792) is 1-[(Z)-but-2-en-2-yl]-3-(trifluoromethyl)pyrrolidine.
What is the SMILES notation for 1-[(Z)-but-2-en-2-yl]-3-(trifluoromethyl)pyrrolidine?
The canonical SMILES for 1-[(Z)-but-2-en-2-yl]-3-(trifluoromethyl)pyrrolidine is C/C=C(/C)N1CCC(C(F)(F)F)C1.
What is the InChIKey of 1-[(Z)-but-2-en-2-yl]-3-(trifluoromethyl)pyrrolidine?
The InChIKey is SPHNCDLCLMWPHM-CLTKARDFSA-N. The full InChI is InChI=1S/C9H14F3N/c1-3-7(2)13-5-4-8(6-13)9(10,11)12/h3,8H,4-6H2,1-2H3/b7-3-.
What are the key properties of 1-[(Z)-but-2-en-2-yl]-3-(trifluoromethyl)pyrrolidine?
1-[(Z)-but-2-en-2-yl]-3-(trifluoromethyl)pyrrolidine has a molecular weight of 193.21 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-2-en-2-yl]-3-(trifluoromethyl)pyrrolidine is sourced from PubChem (CID 165128792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).