2-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]pyrrolidine

C10H16F3N — CID 145110985

IUPAC2-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]pyrrolidine
SMILESC/C(=C/CCC1CCCN1)C(F)(F)F
InChIInChI=1S/C10H16F3N/c1-8(10(11,12)13)4-2-5-9-6-3-7-14-9/h4,9,14H,2-3,5-7H2,1H3/b8-4-
InChIKeyPZIFDJNYTPRQJN-YWEYNIOJSA-N
MW207.24 g/mol
LogP3.03
Rot. Bonds3

About 2-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]pyrrolidine

2-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]pyrrolidine (PubChem CID 145110985) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is 2-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]pyrrolidine.

Molecular Properties

Compound Name2-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]pyrrolidine
PubChem CID145110985
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name2-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]pyrrolidine
SMILESC/C(=C/CCC1CCCN1)C(F)(F)F
InChIInChI=1S/C10H16F3N/c1-8(10(11,12)13)4-2-5-9-6-3-7-14-9/h4,9,14H,2-3,5-7H2,1H3/b8-4-
InChIKeyPZIFDJNYTPRQJN-YWEYNIOJSA-N
XLogP3.03
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-Methylpent-3-enyl)pyrrolidine
CID 10464523
5-pentyl-2-(trifluoromethyl)-2,3-dihydro-1H-pyrrole
CID 70124611
N-methyl-3-(trifluoromethyl)cyclohex-2-en-1-amine
CID 89073810
3-(Trifluoromethyl)-8-azabicyclo[3.2.1]oct-2-ene
CID 118008135
2-Methyl-3-[4,4,4-trifluoro-3-(trifluoromethyl)but-2-enyl]pyrrolidine
CID 121450917
2-[5,5,5-Trifluoro-4-(trifluoromethyl)pent-3-enyl]pyrrolidine
CID 121451030
(E)-N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-methylhept-5-en-2-amine
CID 121451126
(E)-7,7,7-trifluoro-N,6-dimethylhept-5-en-2-amine
CID 121451131
N-(2,2-difluoroethyl)-6-methylhept-5-en-2-amine
CID 121451140
(Z)-7,7,7-trifluoro-N,6-dimethylhept-5-en-2-amine
CID 121451142
(Z)-N-(2,2-difluoroethyl)-7,7,7-trifluoro-6-methylhept-5-en-2-amine
CID 121451144
6-methyl-N-(2,2,2-trifluoroethyl)hept-5-en-2-amine
CID 121451147

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]pyrrolidine?
The IUPAC name of 2-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]pyrrolidine (CID 145110985) is 2-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]pyrrolidine.
What is the SMILES notation for 2-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]pyrrolidine?
The canonical SMILES for 2-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]pyrrolidine is C/C(=C/CCC1CCCN1)C(F)(F)F.
What is the InChIKey of 2-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]pyrrolidine?
The InChIKey is PZIFDJNYTPRQJN-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H16F3N/c1-8(10(11,12)13)4-2-5-9-6-3-7-14-9/h4,9,14H,2-3,5-7H2,1H3/b8-4-.
What are the key properties of 2-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]pyrrolidine?
2-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]pyrrolidine has a molecular weight of 207.24 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]pyrrolidine is sourced from PubChem (CID 145110985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).