N-[(Z,3R)-2,3-dimethylpent-1-enyl]-2-(trifluoromethyl)prop-2-en-1-imine

C11H16F3N — CID 170710110

IUPACN-[(Z,3R)-2,3-dimethylpent-1-enyl]-2-(trifluoromethyl)prop-2-en-1-imine
SMILESC=C(/C=N/C=C(/C)[C@H](C)CC)C(F)(F)F
InChIInChI=1S/C11H16F3N/c1-5-8(2)9(3)6-15-7-10(4)11(12,13)14/h6-8H,4-5H2,1-3H3/b9-6-,15-7+/t8-/m1/s1
InChIKeyPJLFQORVRXKAEW-DLSZDLJLSA-N
MW219.25 g/mol
LogP4.13
Rot. Bonds4

About N-[(Z,3R)-2,3-dimethylpent-1-enyl]-2-(trifluoromethyl)prop-2-en-1-imine

N-[(Z,3R)-2,3-dimethylpent-1-enyl]-2-(trifluoromethyl)prop-2-en-1-imine (PubChem CID 170710110) has the molecular formula C11H16F3N and a molecular weight of 219.25 g/mol. Its IUPAC name is N-[(Z,3R)-2,3-dimethylpent-1-enyl]-2-(trifluoromethyl)prop-2-en-1-imine.

Molecular Properties

Compound NameN-[(Z,3R)-2,3-dimethylpent-1-enyl]-2-(trifluoromethyl)prop-2-en-1-imine
PubChem CID170710110
Molecular FormulaC11H16F3N
Molecular Weight219.25 g/mol
Exact Mass219.12
IUPAC NameN-[(Z,3R)-2,3-dimethylpent-1-enyl]-2-(trifluoromethyl)prop-2-en-1-imine
SMILESC=C(/C=N/C=C(/C)[C@H](C)CC)C(F)(F)F
InChIInChI=1S/C11H16F3N/c1-5-8(2)9(3)6-15-7-10(4)11(12,13)14/h6-8H,4-5H2,1-3H3/b9-6-,15-7+/t8-/m1/s1
InChIKeyPJLFQORVRXKAEW-DLSZDLJLSA-N
XLogP4.13
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-4-methylidene-5-(trifluoromethyl)-3H-pyridine
CID 117863563
N-[(E)-2,3-dimethylbut-1-enyl]-4,4,4-trifluorobutan-1-imine;ethane
CID 142399738
4,5-dimethyl-3-(trifluoromethyl)-4H-pyridine
CID 146227635
(2E)-3,3-difluoro-2-[(methylideneamino)methylidene]-N-(4-methylpentyl)butan-1-imine
CID 156392882
(Z)-4-methyl-2-(2,2,2-trifluoroethyliminomethyl)pent-1-en-1-amine
CID 156898616
3,3-difluoro-N,4-dimethyl-2-methylidenepent-4-en-1-imine
CID 163722280
5-Propan-2-yl-3-(trifluoromethyl)-3,4-dihydropyridine
CID 166850801
(2Z)-5,6,6,6-tetrafluoro-N,5-dimethyl-2-[(methylideneamino)methylidene]hexan-1-imine
CID 167172070
4-Methyl-2-(2,2,2-trifluoroethyliminomethyl)pent-1-en-1-amine
CID 173989356
N-[(E)-2,3-dimethylbut-1-enyl]-4,4,4-trifluorobutan-1-imine
CID 142399739
(Z)-2-[(E)-fluoromethyliminomethyl]-3-methylpent-1-en-1-amine
CID 153364260
3,4-dimethyl-5-methylidene-4H-pyridine
CID 146748034

Frequently Asked Questions

What is the IUPAC name of N-[(Z,3R)-2,3-dimethylpent-1-enyl]-2-(trifluoromethyl)prop-2-en-1-imine?
The IUPAC name of N-[(Z,3R)-2,3-dimethylpent-1-enyl]-2-(trifluoromethyl)prop-2-en-1-imine (CID 170710110) is N-[(Z,3R)-2,3-dimethylpent-1-enyl]-2-(trifluoromethyl)prop-2-en-1-imine.
What is the SMILES notation for N-[(Z,3R)-2,3-dimethylpent-1-enyl]-2-(trifluoromethyl)prop-2-en-1-imine?
The canonical SMILES for N-[(Z,3R)-2,3-dimethylpent-1-enyl]-2-(trifluoromethyl)prop-2-en-1-imine is C=C(/C=N/C=C(/C)[C@H](C)CC)C(F)(F)F.
What is the InChIKey of N-[(Z,3R)-2,3-dimethylpent-1-enyl]-2-(trifluoromethyl)prop-2-en-1-imine?
The InChIKey is PJLFQORVRXKAEW-DLSZDLJLSA-N. The full InChI is InChI=1S/C11H16F3N/c1-5-8(2)9(3)6-15-7-10(4)11(12,13)14/h6-8H,4-5H2,1-3H3/b9-6-,15-7+/t8-/m1/s1.
What are the key properties of N-[(Z,3R)-2,3-dimethylpent-1-enyl]-2-(trifluoromethyl)prop-2-en-1-imine?
N-[(Z,3R)-2,3-dimethylpent-1-enyl]-2-(trifluoromethyl)prop-2-en-1-imine has a molecular weight of 219.25 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z,3R)-2,3-dimethylpent-1-enyl]-2-(trifluoromethyl)prop-2-en-1-imine is sourced from PubChem (CID 170710110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).