(4E)-3-methylidene-4-[(E)-2-(trifluoromethyl)but-2-enylidene]pyrrolidine

C10H12F3N — CID 145417315

IUPAC(4E)-3-methylidene-4-[(E)-2-(trifluoromethyl)but-2-enylidene]pyrrolidine
SMILESC=C1CNC/C1=C/C(=C\C)C(F)(F)F
InChIInChI=1S/C10H12F3N/c1-3-9(10(11,12)13)4-8-6-14-5-7(8)2/h3-4,14H,2,5-6H2,1H3/b8-4-,9-3+
InChIKeyJSSQMFORRQWAJZ-MBYBCJJBSA-N
MW203.21 g/mol
LogP2.58
Rot. Bonds1

About (4E)-3-methylidene-4-[(E)-2-(trifluoromethyl)but-2-enylidene]pyrrolidine

(4E)-3-methylidene-4-[(E)-2-(trifluoromethyl)but-2-enylidene]pyrrolidine (PubChem CID 145417315) has the molecular formula C10H12F3N and a molecular weight of 203.21 g/mol. Its IUPAC name is (4E)-3-methylidene-4-[(E)-2-(trifluoromethyl)but-2-enylidene]pyrrolidine.

Molecular Properties

Compound Name(4E)-3-methylidene-4-[(E)-2-(trifluoromethyl)but-2-enylidene]pyrrolidine
PubChem CID145417315
Molecular FormulaC10H12F3N
Molecular Weight203.21 g/mol
Exact Mass203.09
IUPAC Name(4E)-3-methylidene-4-[(E)-2-(trifluoromethyl)but-2-enylidene]pyrrolidine
SMILESC=C1CNC/C1=C/C(=C\C)C(F)(F)F
InChIInChI=1S/C10H12F3N/c1-3-9(10(11,12)13)4-8-6-14-5-7(8)2/h3-4,14H,2,5-6H2,1H3/b8-4-,9-3+
InChIKeyJSSQMFORRQWAJZ-MBYBCJJBSA-N
XLogP2.58
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3E,4Z)-3-ethylidene-4-(1-fluoroethylidene)pyrrolidine
CID 88957760
(2E)-2-[(Z)-but-2-en-2-yl]-N-methyl-4-(trifluoromethyl)penta-2,4-dien-1-amine
CID 89228068
3-(2,2,2-trifluoroethyl)-2,5-dihydro-1H-pyrrole
CID 117205482
(3Z)-N-methyl-2-methylidene-5-(trifluoromethyl)hexa-3,5-dien-1-amine
CID 126710459
(E)-5,5,5-trifluoro-N-methyl-2-methylidenepent-3-en-1-amine
CID 126710477
(2E,3Z)-N-(2,2-difluoroethyl)-2-ethylidenehexa-3,5-dien-1-amine
CID 129116402
1-[(2E)-2-ethyl-5-methylhexa-2,4-dienyl]-3,3-difluoropyrrolidine
CID 139317991
(2E,3E)-N-methyl-2-propylidene-3-(trifluoromethyl)hexa-3,5-dien-1-amine
CID 142872853
6-(2,2,2-Trifluoroethyl)-1,2,3,8-tetrahydrocyclohepta[c]pyrrole
CID 143270887
(4Z)-3-buta-1,3-dienylidene-4-(1-fluoroethylidene)pyrrolidine
CID 143402727
1-(3,5-difluorocyclohepta-1,3,5-trien-1-yl)-N-methylmethanamine
CID 143410965
(2E,3E)-2-ethylidene-N-methyl-4-(trifluoromethyl)hexa-3,5-dien-1-amine
CID 143410966

Frequently Asked Questions

What is the IUPAC name of (4E)-3-methylidene-4-[(E)-2-(trifluoromethyl)but-2-enylidene]pyrrolidine?
The IUPAC name of (4E)-3-methylidene-4-[(E)-2-(trifluoromethyl)but-2-enylidene]pyrrolidine (CID 145417315) is (4E)-3-methylidene-4-[(E)-2-(trifluoromethyl)but-2-enylidene]pyrrolidine.
What is the SMILES notation for (4E)-3-methylidene-4-[(E)-2-(trifluoromethyl)but-2-enylidene]pyrrolidine?
The canonical SMILES for (4E)-3-methylidene-4-[(E)-2-(trifluoromethyl)but-2-enylidene]pyrrolidine is C=C1CNC/C1=C/C(=C\C)C(F)(F)F.
What is the InChIKey of (4E)-3-methylidene-4-[(E)-2-(trifluoromethyl)but-2-enylidene]pyrrolidine?
The InChIKey is JSSQMFORRQWAJZ-MBYBCJJBSA-N. The full InChI is InChI=1S/C10H12F3N/c1-3-9(10(11,12)13)4-8-6-14-5-7(8)2/h3-4,14H,2,5-6H2,1H3/b8-4-,9-3+.
What are the key properties of (4E)-3-methylidene-4-[(E)-2-(trifluoromethyl)but-2-enylidene]pyrrolidine?
(4E)-3-methylidene-4-[(E)-2-(trifluoromethyl)but-2-enylidene]pyrrolidine has a molecular weight of 203.21 g/mol, XLogP of 2.58, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-3-methylidene-4-[(E)-2-(trifluoromethyl)but-2-enylidene]pyrrolidine is sourced from PubChem (CID 145417315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).