(2Z)-N-methyl-2-propan-2-ylpenta-2,4-dienimidoyl fluoride

C9H14FN — CID 169231431

IUPAC(2Z)-N-methyl-2-propan-2-ylpenta-2,4-dienimidoyl fluoride
SMILESC=C/C=C(C(\F)=N\C)/C(C)C
InChIInChI=1S/C9H14FN/c1-5-6-8(7(2)3)9(10)11-4/h5-7H,1H2,2-4H3/b8-6-,11-9-
InChIKeyBXTVGURZHJISNZ-BBDSXROGSA-N
MW155.22 g/mol
LogP2.75
Rot. Bonds3

About (2Z)-N-methyl-2-propan-2-ylpenta-2,4-dienimidoyl fluoride

(2Z)-N-methyl-2-propan-2-ylpenta-2,4-dienimidoyl fluoride (PubChem CID 169231431) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is (2Z)-N-methyl-2-propan-2-ylpenta-2,4-dienimidoyl fluoride.

Molecular Properties

Compound Name(2Z)-N-methyl-2-propan-2-ylpenta-2,4-dienimidoyl fluoride
PubChem CID169231431
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name(2Z)-N-methyl-2-propan-2-ylpenta-2,4-dienimidoyl fluoride
SMILESC=C/C=C(C(\F)=N\C)/C(C)C
InChIInChI=1S/C9H14FN/c1-5-6-8(7(2)3)9(10)11-4/h5-7H,1H2,2-4H3/b8-6-,11-9-
InChIKeyBXTVGURZHJISNZ-BBDSXROGSA-N
XLogP2.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.75
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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Related Compounds

(4Z)-4-ethenyl-2-fluoro-N-methylhepta-1,4-dien-3-imine
CID 143981182
(4E)-4-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine
CID 170077929
(2Z,3Z,5Z)-4-fluoro-N,3,6-trimethyl-2-propylideneocta-3,5,7-trien-1-imine
CID 143621189
1-(5-fluorocyclohepta-1,3,6-trien-1-yl)-N-methylmethanimine
CID 143995117
2-ethyl-N-methylcyclohexa-1,3-diene-1-carboximidoyl fluoride
CID 144950409
(Z)-N,4-dimethylhex-2-enimidoyl fluoride
CID 155728645
(4Z)-2-fluoro-N,2,6-trimethylhepta-4,6-dien-3-imine
CID 169104905
(3Z)-1,1,1-trifluoro-N,3-dimethylhexa-3,5-dien-2-imine
CID 170583048
N-methyl-2-propan-2-ylpenta-2,4-dien-1-imine
CID 123550142
(2Z,4Z)-N-methyl-2-propan-2-ylhexa-2,4-dien-1-imine
CID 124200529
(2Z)-N-methyl-2-propan-2-ylpenta-2,4-dien-1-imine
CID 130306157
(2Z,4E)-N-methyl-2-propan-2-ylhexa-2,4-dien-1-imine
CID 142585371

Frequently Asked Questions

What is the IUPAC name of (2Z)-N-methyl-2-propan-2-ylpenta-2,4-dienimidoyl fluoride?
The IUPAC name of (2Z)-N-methyl-2-propan-2-ylpenta-2,4-dienimidoyl fluoride (CID 169231431) is (2Z)-N-methyl-2-propan-2-ylpenta-2,4-dienimidoyl fluoride.
What is the SMILES notation for (2Z)-N-methyl-2-propan-2-ylpenta-2,4-dienimidoyl fluoride?
The canonical SMILES for (2Z)-N-methyl-2-propan-2-ylpenta-2,4-dienimidoyl fluoride is C=C/C=C(C(\F)=N\C)/C(C)C.
What is the InChIKey of (2Z)-N-methyl-2-propan-2-ylpenta-2,4-dienimidoyl fluoride?
The InChIKey is BXTVGURZHJISNZ-BBDSXROGSA-N. The full InChI is InChI=1S/C9H14FN/c1-5-6-8(7(2)3)9(10)11-4/h5-7H,1H2,2-4H3/b8-6-,11-9-.
What are the key properties of (2Z)-N-methyl-2-propan-2-ylpenta-2,4-dienimidoyl fluoride?
(2Z)-N-methyl-2-propan-2-ylpenta-2,4-dienimidoyl fluoride has a molecular weight of 155.22 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-N-methyl-2-propan-2-ylpenta-2,4-dienimidoyl fluoride is sourced from PubChem (CID 169231431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).