(2Z)-4-methyl-2-propan-2-yl-N-(3,4,4-trifluoro-3-methylbutyl)penta-2,4-dien-1-imine

C14H22F3N — CID 130390089

IUPAC(2Z)-4-methyl-2-propan-2-yl-N-(3,4,4-trifluoro-3-methylbutyl)penta-2,4-dien-1-imine
SMILESC=C(C)/C=C(\C=N\CCC(C)(F)C(F)F)C(C)C
InChIInChI=1S/C14H22F3N/c1-10(2)8-12(11(3)4)9-18-7-6-14(5,17)13(15)16/h8-9,11,13H,1,6-7H2,2-5H3/b12-8+,18-9+
InChIKeyMBDVUKLICPOEFX-KJXRKRIBSA-N
MW261.33 g/mol
LogP4.60
Rot. Bonds7

About (2Z)-4-methyl-2-propan-2-yl-N-(3,4,4-trifluoro-3-methylbutyl)penta-2,4-dien-1-imine

(2Z)-4-methyl-2-propan-2-yl-N-(3,4,4-trifluoro-3-methylbutyl)penta-2,4-dien-1-imine (PubChem CID 130390089) has the molecular formula C14H22F3N and a molecular weight of 261.33 g/mol. Its IUPAC name is (2Z)-4-methyl-2-propan-2-yl-N-(3,4,4-trifluoro-3-methylbutyl)penta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2Z)-4-methyl-2-propan-2-yl-N-(3,4,4-trifluoro-3-methylbutyl)penta-2,4-dien-1-imine
PubChem CID130390089
Molecular FormulaC14H22F3N
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name(2Z)-4-methyl-2-propan-2-yl-N-(3,4,4-trifluoro-3-methylbutyl)penta-2,4-dien-1-imine
SMILESC=C(C)/C=C(\C=N\CCC(C)(F)C(F)F)C(C)C
InChIInChI=1S/C14H22F3N/c1-10(2)8-12(11(3)4)9-18-7-6-14(5,17)13(15)16/h8-9,11,13H,1,6-7H2,2-5H3/b12-8+,18-9+
InChIKeyMBDVUKLICPOEFX-KJXRKRIBSA-N
XLogP4.60
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-4-methyl-2-propan-2-yl-N-(3,4,4-trifluoro-3-methylbutyl)penta-2,4-dien-1-imine?
The IUPAC name of (2Z)-4-methyl-2-propan-2-yl-N-(3,4,4-trifluoro-3-methylbutyl)penta-2,4-dien-1-imine (CID 130390089) is (2Z)-4-methyl-2-propan-2-yl-N-(3,4,4-trifluoro-3-methylbutyl)penta-2,4-dien-1-imine.
What is the SMILES notation for (2Z)-4-methyl-2-propan-2-yl-N-(3,4,4-trifluoro-3-methylbutyl)penta-2,4-dien-1-imine?
The canonical SMILES for (2Z)-4-methyl-2-propan-2-yl-N-(3,4,4-trifluoro-3-methylbutyl)penta-2,4-dien-1-imine is C=C(C)/C=C(\C=N\CCC(C)(F)C(F)F)C(C)C.
What is the InChIKey of (2Z)-4-methyl-2-propan-2-yl-N-(3,4,4-trifluoro-3-methylbutyl)penta-2,4-dien-1-imine?
The InChIKey is MBDVUKLICPOEFX-KJXRKRIBSA-N. The full InChI is InChI=1S/C14H22F3N/c1-10(2)8-12(11(3)4)9-18-7-6-14(5,17)13(15)16/h8-9,11,13H,1,6-7H2,2-5H3/b12-8+,18-9+.
What are the key properties of (2Z)-4-methyl-2-propan-2-yl-N-(3,4,4-trifluoro-3-methylbutyl)penta-2,4-dien-1-imine?
(2Z)-4-methyl-2-propan-2-yl-N-(3,4,4-trifluoro-3-methylbutyl)penta-2,4-dien-1-imine has a molecular weight of 261.33 g/mol, XLogP of 4.60, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-4-methyl-2-propan-2-yl-N-(3,4,4-trifluoro-3-methylbutyl)penta-2,4-dien-1-imine is sourced from PubChem (CID 130390089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).