N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]pentan-2-imine

C10H16F3N — CID 168972551

IUPACN-[(Z)-1,1,1-trifluoropent-2-en-2-yl]pentan-2-imine
SMILESCC/C=C(\N=C(/C)CCC)C(F)(F)F
InChIInChI=1S/C10H16F3N/c1-4-6-8(3)14-9(7-5-2)10(11,12)13/h7H,4-6H2,1-3H3/b9-7-,14-8+
InChIKeyVZZXANFLRMCGPG-JIAHQVGESA-N
MW207.24 g/mol
LogP4.10
Rot. Bonds4

About N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]pentan-2-imine

N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]pentan-2-imine (PubChem CID 168972551) has the molecular formula C10H16F3N and a molecular weight of 207.24 g/mol. Its IUPAC name is N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]pentan-2-imine.

Molecular Properties

Compound NameN-[(Z)-1,1,1-trifluoropent-2-en-2-yl]pentan-2-imine
PubChem CID168972551
Molecular FormulaC10H16F3N
Molecular Weight207.24 g/mol
Exact Mass207.12
IUPAC NameN-[(Z)-1,1,1-trifluoropent-2-en-2-yl]pentan-2-imine
SMILESCC/C=C(\N=C(/C)CCC)C(F)(F)F
InChIInChI=1S/C10H16F3N/c1-4-6-8(3)14-9(7-5-2)10(11,12)13/h7H,4-6H2,1-3H3/b9-7-,14-8+
InChIKeyVZZXANFLRMCGPG-JIAHQVGESA-N
XLogP4.10
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]pentan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Methyl-2-(trifluoromethyl)-3,4-dihydropyridine
CID 68384839
2-Methyl-6-(trifluoromethyl)-3,4-dihydropyridine
CID 91155360
(Z)-N-(3,3,3-trifluoroprop-1-en-2-yl)pent-3-en-2-imine
CID 131996217
(Z)-N-[(E)-1,1,1-trifluoropent-2-en-2-yl]pent-3-en-2-imine
CID 134219972
(Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine
CID 135140839
(Z)-N-[(Z)-but-2-en-2-yl]-1,1,1-trifluoropent-3-en-2-imine;ethane
CID 142374868
2-Ethyl-6-(trifluoromethyl)-3,4-dihydropyridine
CID 147011551
propane;(E)-1,1,1-trifluoro-4-methyl-N-prop-1-en-2-ylhex-3-en-2-imine
CID 153342667
(E)-1,1,1-trifluoro-4-methyl-N-[(E)-pent-2-en-2-yl]hept-3-en-2-imine
CID 172239637
1,1,1-trifluoro-4-methyl-N-[(E)-pent-2-en-2-yl]pent-3-en-2-imine
CID 172240654
1,1,1-trifluoro-N-[(E)-pent-2-en-2-yl]butan-2-imine
CID 168972393
N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-2-imine
CID 168972404

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]pentan-2-imine?
The IUPAC name of N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]pentan-2-imine (CID 168972551) is N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]pentan-2-imine.
What is the SMILES notation for N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]pentan-2-imine?
The canonical SMILES for N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]pentan-2-imine is CC/C=C(\N=C(/C)CCC)C(F)(F)F.
What is the InChIKey of N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]pentan-2-imine?
The InChIKey is VZZXANFLRMCGPG-JIAHQVGESA-N. The full InChI is InChI=1S/C10H16F3N/c1-4-6-8(3)14-9(7-5-2)10(11,12)13/h7H,4-6H2,1-3H3/b9-7-,14-8+.
What are the key properties of N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]pentan-2-imine?
N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]pentan-2-imine has a molecular weight of 207.24 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1,1,1-trifluoropent-2-en-2-yl]pentan-2-imine is sourced from PubChem (CID 168972551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).