(Z,2Z)-2-[[fluoro(methyl)phosphanyl]methylidene]-N-methyl-N-propylhex-3-enimidamide

C12H22FN2P — CID 142083665

IUPAC(Z,2Z)-2-[[fluoro(methyl)phosphanyl]methylidene]-N-methyl-N-propylhex-3-enimidamide
SMILES[H]/N=C(C(/C=C\CC)=C\P(C)F)\N(C)CCC
InChIInChI=1S/C12H22FN2P/c1-5-7-8-11(10-16(4)13)12(14)15(3)9-6-2/h7-8,10,14H,5-6,9H2,1-4H3/b8-7-,11-10-,14-12-
InChIKeyCCHLOGZEIJQECN-OCUQSRSBSA-N
MW244.29 g/mol
LogP4.15
Rot. Bonds6

About (Z,2Z)-2-[[fluoro(methyl)phosphanyl]methylidene]-N-methyl-N-propylhex-3-enimidamide

(Z,2Z)-2-[[fluoro(methyl)phosphanyl]methylidene]-N-methyl-N-propylhex-3-enimidamide (PubChem CID 142083665) has the molecular formula C12H22FN2P and a molecular weight of 244.29 g/mol. Its IUPAC name is (Z,2Z)-2-[[fluoro(methyl)phosphanyl]methylidene]-N-methyl-N-propylhex-3-enimidamide.

Molecular Properties

Compound Name(Z,2Z)-2-[[fluoro(methyl)phosphanyl]methylidene]-N-methyl-N-propylhex-3-enimidamide
PubChem CID142083665
Molecular FormulaC12H22FN2P
Molecular Weight244.29 g/mol
Exact Mass244.15
IUPAC Name(Z,2Z)-2-[[fluoro(methyl)phosphanyl]methylidene]-N-methyl-N-propylhex-3-enimidamide
SMILES[H]/N=C(C(/C=C\CC)=C\P(C)F)\N(C)CCC
InChIInChI=1S/C12H22FN2P/c1-5-7-8-11(10-16(4)13)12(14)15(3)9-6-2/h7-8,10,14H,5-6,9H2,1-4H3/b8-7-,11-10-,14-12-
InChIKeyCCHLOGZEIJQECN-OCUQSRSBSA-N
XLogP4.15
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N,N-diethyl-2-ethylidene-4-methylpent-3-enimidamide
CID 123919129
ethane;N-ethyl-N,5-dimethylcyclohepta-1,4,6-triene-1-carboximidamide
CID 141997058
N-ethyl-N,5-dimethylcyclohepta-1,4,6-triene-1-carboximidamide
CID 141997059
(Z)-N-butyl-N-methyl-2-methylidenepent-3-enimidamide
CID 142083608

Frequently Asked Questions

What is the IUPAC name of (Z,2Z)-2-[[fluoro(methyl)phosphanyl]methylidene]-N-methyl-N-propylhex-3-enimidamide?
The IUPAC name of (Z,2Z)-2-[[fluoro(methyl)phosphanyl]methylidene]-N-methyl-N-propylhex-3-enimidamide (CID 142083665) is (Z,2Z)-2-[[fluoro(methyl)phosphanyl]methylidene]-N-methyl-N-propylhex-3-enimidamide.
What is the SMILES notation for (Z,2Z)-2-[[fluoro(methyl)phosphanyl]methylidene]-N-methyl-N-propylhex-3-enimidamide?
The canonical SMILES for (Z,2Z)-2-[[fluoro(methyl)phosphanyl]methylidene]-N-methyl-N-propylhex-3-enimidamide is [H]/N=C(C(/C=C\CC)=C\P(C)F)\N(C)CCC.
What is the InChIKey of (Z,2Z)-2-[[fluoro(methyl)phosphanyl]methylidene]-N-methyl-N-propylhex-3-enimidamide?
The InChIKey is CCHLOGZEIJQECN-OCUQSRSBSA-N. The full InChI is InChI=1S/C12H22FN2P/c1-5-7-8-11(10-16(4)13)12(14)15(3)9-6-2/h7-8,10,14H,5-6,9H2,1-4H3/b8-7-,11-10-,14-12-.
What are the key properties of (Z,2Z)-2-[[fluoro(methyl)phosphanyl]methylidene]-N-methyl-N-propylhex-3-enimidamide?
(Z,2Z)-2-[[fluoro(methyl)phosphanyl]methylidene]-N-methyl-N-propylhex-3-enimidamide has a molecular weight of 244.29 g/mol, XLogP of 4.15, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2Z)-2-[[fluoro(methyl)phosphanyl]methylidene]-N-methyl-N-propylhex-3-enimidamide is sourced from PubChem (CID 142083665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).