3-methylidene-2-propan-2-ylidene-N-prop-1-en-2-ylhexanimidoyl fluoride

C13H20FN — CID 137384126

IUPAC3-methylidene-2-propan-2-ylidene-N-prop-1-en-2-ylhexanimidoyl fluoride
SMILESC=C(C)/N=C(\F)C(C(=C)CCC)=C(C)C
InChIInChI=1S/C13H20FN/c1-7-8-11(6)12(9(2)3)13(14)15-10(4)5/h4,6-8H2,1-3,5H3/b15-13-
InChIKeyXMQWQUNJXPUDSB-SQFISAMPSA-N
MW209.31 g/mol
LogP4.58
Rot. Bonds5

About 3-methylidene-2-propan-2-ylidene-N-prop-1-en-2-ylhexanimidoyl fluoride

3-methylidene-2-propan-2-ylidene-N-prop-1-en-2-ylhexanimidoyl fluoride (PubChem CID 137384126) has the molecular formula C13H20FN and a molecular weight of 209.31 g/mol. Its IUPAC name is 3-methylidene-2-propan-2-ylidene-N-prop-1-en-2-ylhexanimidoyl fluoride.

Molecular Properties

Compound Name3-methylidene-2-propan-2-ylidene-N-prop-1-en-2-ylhexanimidoyl fluoride
PubChem CID137384126
Molecular FormulaC13H20FN
Molecular Weight209.31 g/mol
Exact Mass209.16
IUPAC Name3-methylidene-2-propan-2-ylidene-N-prop-1-en-2-ylhexanimidoyl fluoride
SMILESC=C(C)/N=C(\F)C(C(=C)CCC)=C(C)C
InChIInChI=1S/C13H20FN/c1-7-8-11(6)12(9(2)3)13(14)15-10(4)5/h4,6-8H2,1-3,5H3/b15-13-
InChIKeyXMQWQUNJXPUDSB-SQFISAMPSA-N
XLogP4.58
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.31
LogP ≤ 54.58
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

(Z)-1,1,1-trifluoro-N,3-bis(prop-1-en-2-yl)hex-3-en-2-imine
CID 89010256
N-(3,3-dimethylbut-1-en-2-yl)-2-fluoro-6-methylidenecyclohexa-2,4-dien-1-imine
CID 142320203
(E)-5-fluoro-3-methylidene-N-pent-1-en-2-ylhex-4-en-2-imine
CID 145128279
(4E,6Z)-N-[(Z)-but-2-en-2-yl]-5-fluoro-6-methylocta-4,6-dien-3-imine
CID 177040457
N-[(2E)-3-fluoro-4-methylpenta-2,4-dien-2-yl]pentan-2-imine
CID 168972356
(4E,6Z)-N-[(Z)-but-2-en-2-yl]-4-fluoro-6-methylocta-4,6-dien-3-imine
CID 177040437
2,4,6-trimethyl-N-(3-methylbut-2-en-2-yl)hepta-1,4,6-trien-3-imine
CID 123822987
(4E,6Z)-N-[(Z)-but-2-en-2-yl]-4-fluoro-6-methylocta-4,6-dien-3-imine;ethane
CID 177040436
(4E,6Z)-N-[(Z)-but-2-en-2-yl]-5-fluoro-6-methylocta-4,6-dien-3-imine;ethane
CID 177040942
6-ethenyl-2-methyl-7-propyl-4H-azepine
CID 142024691

Frequently Asked Questions

What is the IUPAC name of 3-methylidene-2-propan-2-ylidene-N-prop-1-en-2-ylhexanimidoyl fluoride?
The IUPAC name of 3-methylidene-2-propan-2-ylidene-N-prop-1-en-2-ylhexanimidoyl fluoride (CID 137384126) is 3-methylidene-2-propan-2-ylidene-N-prop-1-en-2-ylhexanimidoyl fluoride.
What is the SMILES notation for 3-methylidene-2-propan-2-ylidene-N-prop-1-en-2-ylhexanimidoyl fluoride?
The canonical SMILES for 3-methylidene-2-propan-2-ylidene-N-prop-1-en-2-ylhexanimidoyl fluoride is C=C(C)/N=C(\F)C(C(=C)CCC)=C(C)C.
What is the InChIKey of 3-methylidene-2-propan-2-ylidene-N-prop-1-en-2-ylhexanimidoyl fluoride?
The InChIKey is XMQWQUNJXPUDSB-SQFISAMPSA-N. The full InChI is InChI=1S/C13H20FN/c1-7-8-11(6)12(9(2)3)13(14)15-10(4)5/h4,6-8H2,1-3,5H3/b15-13-.
What are the key properties of 3-methylidene-2-propan-2-ylidene-N-prop-1-en-2-ylhexanimidoyl fluoride?
3-methylidene-2-propan-2-ylidene-N-prop-1-en-2-ylhexanimidoyl fluoride has a molecular weight of 209.31 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-2-propan-2-ylidene-N-prop-1-en-2-ylhexanimidoyl fluoride is sourced from PubChem (CID 137384126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).