3-methylidene-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-2-imine

C10H14F3N — CID 162552052

IUPAC3-methylidene-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-2-imine
SMILESC=C(CC)/C(C)=N/C(=C\C)C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-5-7(3)8(4)14-9(6-2)10(11,12)13/h6H,3,5H2,1-2,4H3/b9-6-,14-8+
InChIKeyBTHGDULAVFEUTM-UVPTZGENSA-N
MW205.22 g/mol
LogP3.88
Rot. Bonds3

About 3-methylidene-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-2-imine

3-methylidene-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-2-imine (PubChem CID 162552052) has the molecular formula C10H14F3N and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-methylidene-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-2-imine.

Molecular Properties

Compound Name3-methylidene-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-2-imine
PubChem CID162552052
Molecular FormulaC10H14F3N
Molecular Weight205.22 g/mol
Exact Mass205.11
IUPAC Name3-methylidene-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-2-imine
SMILESC=C(CC)/C(C)=N/C(=C\C)C(F)(F)F
InChIInChI=1S/C10H14F3N/c1-5-7(3)8(4)14-9(6-2)10(11,12)13/h6H,3,5H2,1-2,4H3/b9-6-,14-8+
InChIKeyBTHGDULAVFEUTM-UVPTZGENSA-N
XLogP3.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-methylidene-N-[(Z)-1,1,1-trifluorobut-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

ethane;2-methyl-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]prop-2-en-1-imine
CID 144896047
(Z)-1,1,1-trifluoro-N-methyl-5-methylidenehept-3-en-2-imine
CID 169163898
[(Z)-4-ethyl-4-methylhex-2-en-3-yl]-prop-1-en-2-yldiazene
CID 134458950
N-methylidene-N'-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimidamide
CID 130242785
ethane;1-[4-[C-methyl-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]carbonimidoyl]phenyl]ethanol;propane
CID 172585991
(Z)-6-fluoro-3,6-dimethyl-5-methylidenehept-3-ene
CID 142164925
N,3-dimethyl-5-methylidenehept-2-en-4-imine
CID 123734855
(E)-4-chloro-1,1,1-trifluoro-N-prop-1-en-2-ylpent-3-en-2-imine;propane
CID 170732020
[3-methyl-4-[C-methyl-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]carbonimidoyl]phenyl]methanol
CID 172586709
(3Z)-2-fluoro-4-methyl-5-methylidenehepta-1,3-diene
CID 169164324
N-[(2Z)-1,1,1-trifluoro-5-methylhexa-2,4-dien-2-yl]methanimine
CID 143072468
but-2-ene;2-methylbut-1-ene
CID 160732246

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-2-imine?
The IUPAC name of 3-methylidene-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-2-imine (CID 162552052) is 3-methylidene-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-2-imine.
What is the SMILES notation for 3-methylidene-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-2-imine?
The canonical SMILES for 3-methylidene-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-2-imine is C=C(CC)/C(C)=N/C(=C\C)C(F)(F)F.
What is the InChIKey of 3-methylidene-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-2-imine?
The InChIKey is BTHGDULAVFEUTM-UVPTZGENSA-N. The full InChI is InChI=1S/C10H14F3N/c1-5-7(3)8(4)14-9(6-2)10(11,12)13/h6H,3,5H2,1-2,4H3/b9-6-,14-8+.
What are the key properties of 3-methylidene-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-2-imine?
3-methylidene-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-2-imine has a molecular weight of 205.22 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-N-[(Z)-1,1,1-trifluorobut-2-en-2-yl]pentan-2-imine is sourced from PubChem (CID 162552052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).