(2Z,5E)-N-(fluoromethyl)-5-methoxy-N-methyl-4-methylideneocta-2,5,7-trien-2-amine

C12H18FNO — CID 166906897

IUPAC(2Z,5E)-N-(fluoromethyl)-5-methoxy-N-methyl-4-methylideneocta-2,5,7-trien-2-amine
SMILESC=C/C=C(/OC)C(=C)/C=C(/C)N(C)CF
InChIInChI=1S/C12H18FNO/c1-6-7-12(15-5)10(2)8-11(3)14(4)9-13/h6-8H,1-2,9H2,3-5H3/b11-8-,12-7+
InChIKeyWWSAONPOEITCDG-MVOOLVRYSA-N
MW211.28 g/mol
LogP3.02
Rot. Bonds6

About (2Z,5E)-N-(fluoromethyl)-5-methoxy-N-methyl-4-methylideneocta-2,5,7-trien-2-amine

(2Z,5E)-N-(fluoromethyl)-5-methoxy-N-methyl-4-methylideneocta-2,5,7-trien-2-amine (PubChem CID 166906897) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is (2Z,5E)-N-(fluoromethyl)-5-methoxy-N-methyl-4-methylideneocta-2,5,7-trien-2-amine.

Molecular Properties

Compound Name(2Z,5E)-N-(fluoromethyl)-5-methoxy-N-methyl-4-methylideneocta-2,5,7-trien-2-amine
PubChem CID166906897
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name(2Z,5E)-N-(fluoromethyl)-5-methoxy-N-methyl-4-methylideneocta-2,5,7-trien-2-amine
SMILESC=C/C=C(/OC)C(=C)/C=C(/C)N(C)CF
InChIInChI=1S/C12H18FNO/c1-6-7-12(15-5)10(2)8-11(3)14(4)9-13/h6-8H,1-2,9H2,3-5H3/b11-8-,12-7+
InChIKeyWWSAONPOEITCDG-MVOOLVRYSA-N
XLogP3.02
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,5E)-N-(fluoromethyl)-5-methoxy-N-methyl-4-methylideneocta-2,5,7-trien-2-amine?
The IUPAC name of (2Z,5E)-N-(fluoromethyl)-5-methoxy-N-methyl-4-methylideneocta-2,5,7-trien-2-amine (CID 166906897) is (2Z,5E)-N-(fluoromethyl)-5-methoxy-N-methyl-4-methylideneocta-2,5,7-trien-2-amine.
What is the SMILES notation for (2Z,5E)-N-(fluoromethyl)-5-methoxy-N-methyl-4-methylideneocta-2,5,7-trien-2-amine?
The canonical SMILES for (2Z,5E)-N-(fluoromethyl)-5-methoxy-N-methyl-4-methylideneocta-2,5,7-trien-2-amine is C=C/C=C(/OC)C(=C)/C=C(/C)N(C)CF.
What is the InChIKey of (2Z,5E)-N-(fluoromethyl)-5-methoxy-N-methyl-4-methylideneocta-2,5,7-trien-2-amine?
The InChIKey is WWSAONPOEITCDG-MVOOLVRYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-6-7-12(15-5)10(2)8-11(3)14(4)9-13/h6-8H,1-2,9H2,3-5H3/b11-8-,12-7+.
What are the key properties of (2Z,5E)-N-(fluoromethyl)-5-methoxy-N-methyl-4-methylideneocta-2,5,7-trien-2-amine?
(2Z,5E)-N-(fluoromethyl)-5-methoxy-N-methyl-4-methylideneocta-2,5,7-trien-2-amine has a molecular weight of 211.28 g/mol, XLogP of 3.02, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5E)-N-(fluoromethyl)-5-methoxy-N-methyl-4-methylideneocta-2,5,7-trien-2-amine is sourced from PubChem (CID 166906897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).