(Z)-2-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-2-en-1-imine

C13H20F3N — CID 139297390

IUPAC(Z)-2-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-2-en-1-imine
SMILESC=C(/N=C/C(=C\CCCC)C(C)C)C(F)(F)F
InChIInChI=1S/C13H20F3N/c1-5-6-7-8-12(10(2)3)9-17-11(4)13(14,15)16/h8-10H,4-7H2,1-3H3/b12-8+,17-9+
InChIKeyFGYQDFDDUFMZRD-MAJDQBKLSA-N
MW247.30 g/mol
LogP4.91
Rot. Bonds6

About (Z)-2-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-2-en-1-imine

(Z)-2-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-2-en-1-imine (PubChem CID 139297390) has the molecular formula C13H20F3N and a molecular weight of 247.30 g/mol. Its IUPAC name is (Z)-2-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-2-en-1-imine
PubChem CID139297390
Molecular FormulaC13H20F3N
Molecular Weight247.30 g/mol
Exact Mass247.15
IUPAC Name(Z)-2-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-2-en-1-imine
SMILESC=C(/N=C/C(=C\CCCC)C(C)C)C(F)(F)F
InChIInChI=1S/C13H20F3N/c1-5-6-7-8-12(10(2)3)9-17-11(4)13(14,15)16/h8-10H,4-7H2,1-3H3/b12-8+,17-9+
InChIKeyFGYQDFDDUFMZRD-MAJDQBKLSA-N
XLogP4.91
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-[(Z)-hept-2-en-2-yl]-2-methylprop-2-en-1-imine
CID 167041258
N-(3,3,3-trifluoroprop-1-en-2-yl)propan-1-imine
CID 123498961
(Z)-N,2-di(propan-2-yl)hept-2-en-1-amine
CID 139548782
1,1,1-trifluoro-2-(trifluoromethyl)dec-2-ene
CID 123613644
(3E)-3-fluoro-2-methylnona-1,3-diene
CID 102212096
(3E,5E)-2-(trifluoromethyl)deca-1,3,5-triene
CID 10888998
(E)-4-(3,3,3-trifluoroprop-1-en-2-ylimino)but-2-en-2-amine
CID 143245790
2,3,4-trimethyldeca-1,4-diene
CID 123573024
ethane;(Z)-N-ethenyl-2-propan-2-ylpent-2-en-1-imine
CID 144970666
(E)-3-methyl-2-nitrosooct-3-ene
CID 135191859
(3E,5Z)-5-bromo-1,1,1-trifluorodeca-3,5-dien-2-one
CID 10934991
1,1,2-trifluorohexan-1-ol
CID 142765310

Frequently Asked Questions

What is the IUPAC name of (Z)-2-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-2-en-1-imine?
The IUPAC name of (Z)-2-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-2-en-1-imine (CID 139297390) is (Z)-2-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-2-en-1-imine.
What is the SMILES notation for (Z)-2-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-2-en-1-imine?
The canonical SMILES for (Z)-2-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-2-en-1-imine is C=C(/N=C/C(=C\CCCC)C(C)C)C(F)(F)F.
What is the InChIKey of (Z)-2-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-2-en-1-imine?
The InChIKey is FGYQDFDDUFMZRD-MAJDQBKLSA-N. The full InChI is InChI=1S/C13H20F3N/c1-5-6-7-8-12(10(2)3)9-17-11(4)13(14,15)16/h8-10H,4-7H2,1-3H3/b12-8+,17-9+.
What are the key properties of (Z)-2-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-2-en-1-imine?
(Z)-2-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-2-en-1-imine has a molecular weight of 247.30 g/mol, XLogP of 4.91, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-propan-2-yl-N-(3,3,3-trifluoroprop-1-en-2-yl)hept-2-en-1-imine is sourced from PubChem (CID 139297390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).