(3Z)-1-methyl-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine

C8H12F3N — CID 155160951

IUPAC(3Z)-1-methyl-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine
SMILESC/C(=C1\CCN(C)C1)C(F)(F)F
InChIInChI=1S/C8H12F3N/c1-6(8(9,10)11)7-3-4-12(2)5-7/h3-5H2,1-2H3/b7-6-
InChIKeyUGPBJGMILOVSSW-SREVYHEPSA-N
MW179.19 g/mol
LogP2.20
Rot. Bonds

About (3Z)-1-methyl-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine

(3Z)-1-methyl-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine (PubChem CID 155160951) has the molecular formula C8H12F3N and a molecular weight of 179.19 g/mol. Its IUPAC name is (3Z)-1-methyl-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine.

Molecular Properties

Compound Name(3Z)-1-methyl-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine
PubChem CID155160951
Molecular FormulaC8H12F3N
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC Name(3Z)-1-methyl-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine
SMILESC/C(=C1\CCN(C)C1)C(F)(F)F
InChIInChI=1S/C8H12F3N/c1-6(8(9,10)11)7-3-4-12(2)5-7/h3-5H2,1-2H3/b7-6-
InChIKeyUGPBJGMILOVSSW-SREVYHEPSA-N
XLogP2.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.20
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
3-Propan-2-ylidene-1-(2,2,2-trifluoroethyl)pyrrolidine
CID 138507099
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
3-(Difluoromethylidene)-1-methylpyrrolidine
CID 167272214
1-Tert-butyl-3-(difluoromethylidene)pyrrolidine
CID 176805116

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-methyl-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine?
The IUPAC name of (3Z)-1-methyl-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine (CID 155160951) is (3Z)-1-methyl-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine.
What is the SMILES notation for (3Z)-1-methyl-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine?
The canonical SMILES for (3Z)-1-methyl-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine is C/C(=C1\CCN(C)C1)C(F)(F)F.
What is the InChIKey of (3Z)-1-methyl-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine?
The InChIKey is UGPBJGMILOVSSW-SREVYHEPSA-N. The full InChI is InChI=1S/C8H12F3N/c1-6(8(9,10)11)7-3-4-12(2)5-7/h3-5H2,1-2H3/b7-6-.
What are the key properties of (3Z)-1-methyl-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine?
(3Z)-1-methyl-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine has a molecular weight of 179.19 g/mol, XLogP of 2.20, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-methyl-3-(1,1,1-trifluoropropan-2-ylidene)pyrrolidine is sourced from PubChem (CID 155160951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).