5-pentyl-2-(trifluoromethyl)-2,3-dihydro-1H-pyrrole

C10H16F3N — CID 70124611

IUPAC5-pentyl-2-(trifluoromethyl)-2,3-dihydro-1H-pyrrole
SMILESCCCCCC1=CCC(C(F)(F)F)N1
InChIInChI=1S/C10H16F3N/c1-2-3-4-5-8-6-7-9(14-8)10(11,12)13/h6,9,14H,2-5,7H2,1H3
InChIKeyNXUWRLRXCICBNF-UHFFFAOYSA-N
MW207.24 g/mol
LogP3.37
Rot. Bonds4

About 5-pentyl-2-(trifluoromethyl)-2,3-dihydro-1H-pyrrole

5-pentyl-2-(trifluoromethyl)-2,3-dihydro-1H-pyrrole (PubChem CID 70124611) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is 5-pentyl-2-(trifluoromethyl)-2,3-dihydro-1H-pyrrole.

Molecular Properties

Compound Name5-pentyl-2-(trifluoromethyl)-2,3-dihydro-1H-pyrrole
PubChem CID70124611
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC Name5-pentyl-2-(trifluoromethyl)-2,3-dihydro-1H-pyrrole
SMILESCCCCCC1=CCC(C(F)(F)F)N1
InChIInChI=1S/C10H16F3N/c1-2-3-4-5-8-6-7-9(14-8)10(11,12)13/h6,9,14H,2-5,7H2,1H3
InChIKeyNXUWRLRXCICBNF-UHFFFAOYSA-N
XLogP3.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N'-[(2E)-6-(trifluoromethyl)hepta-2,6-dien-3-yl]pentane-1,5-diamine
CID 89209357
(Z)-2-N-[(1R)-4-ethylcyclohex-3-en-1-yl]-5,5,5-trifluoropent-2-ene-2,4-diamine
CID 118984030
(Z)-1,1,1-trifluoro-N-propan-2-yloct-5-en-2-amine
CID 132061416
N-cyclohexyl-4-fluorocyclohexen-1-amine
CID 141536144
2-[(Z)-5,5,5-trifluoro-4-methylpent-3-enyl]pyrrolidine
CID 145110985
N-cyclopentyl-4-fluorocyclohexa-1,3-dien-1-amine
CID 145233855
4,4-difluoro-2-[(E)-pent-3-enyl]pyrrolidine
CID 155028665
(5E)-7,7,7-trifluoro-6-methyl-N-octan-3-ylhepta-1,5-dien-2-amine
CID 166968645
(2Z)-1,1,1-trifluoro-4-methyl-N-pentan-2-ylpenta-2,4-dien-2-amine
CID 166991754
(4S)-4-N-(2-fluoroethyl)-1-N,1-N-dimethylcyclohexene-1,4-diamine
CID 167068198
4-(3,3-Difluoropyrrolidin-1-yl)cyclohexen-1-amine
CID 174318047
(E)-3-N-(2-fluoroethyl)oct-5-ene-3,5-diamine
CID 174355359

Frequently Asked Questions

What is the IUPAC name of 5-pentyl-2-(trifluoromethyl)-2,3-dihydro-1H-pyrrole?
The IUPAC name of 5-pentyl-2-(trifluoromethyl)-2,3-dihydro-1H-pyrrole (CID 70124611) is 5-pentyl-2-(trifluoromethyl)-2,3-dihydro-1H-pyrrole.
What is the SMILES notation for 5-pentyl-2-(trifluoromethyl)-2,3-dihydro-1H-pyrrole?
The canonical SMILES for 5-pentyl-2-(trifluoromethyl)-2,3-dihydro-1H-pyrrole is CCCCCC1=CCC(C(F)(F)F)N1.
What is the InChIKey of 5-pentyl-2-(trifluoromethyl)-2,3-dihydro-1H-pyrrole?
The InChIKey is NXUWRLRXCICBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3N/c1-2-3-4-5-8-6-7-9(14-8)10(11,12)13/h6,9,14H,2-5,7H2,1H3.
What are the key properties of 5-pentyl-2-(trifluoromethyl)-2,3-dihydro-1H-pyrrole?
5-pentyl-2-(trifluoromethyl)-2,3-dihydro-1H-pyrrole has a molecular weight of 207.24 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-2-(trifluoromethyl)-2,3-dihydro-1H-pyrrole is sourced from PubChem (CID 70124611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).