N'-[(2Z,4Z)-3-fluoro-1-phosphanylhexa-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine

C10H20FN2P — CID 142440482

IUPACN'-[(2Z,4Z)-3-fluoro-1-phosphanylhexa-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine
SMILESC/C=C\C(F)=C(/CP)N(C)CCNC
InChIInChI=1S/C10H20FN2P/c1-4-5-9(11)10(8-14)13(3)7-6-12-2/h4-5,12H,6-8,14H2,1-3H3/b5-4-,10-9-
InChIKeyAZPLHDQWPNABNM-ACHWKMRWSA-N
MW218.26 g/mol
LogP1.77
Rot. Bonds6

About N'-[(2Z,4Z)-3-fluoro-1-phosphanylhexa-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine

N'-[(2Z,4Z)-3-fluoro-1-phosphanylhexa-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 142440482) has the molecular formula C10H20FN2P and a molecular weight of 218.26 g/mol. Its IUPAC name is N'-[(2Z,4Z)-3-fluoro-1-phosphanylhexa-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(2Z,4Z)-3-fluoro-1-phosphanylhexa-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine
PubChem CID142440482
Molecular FormulaC10H20FN2P
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC NameN'-[(2Z,4Z)-3-fluoro-1-phosphanylhexa-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine
SMILESC/C=C\C(F)=C(/CP)N(C)CCNC
InChIInChI=1S/C10H20FN2P/c1-4-5-9(11)10(8-14)13(3)7-6-12-2/h4-5,12H,6-8,14H2,1-3H3/b5-4-,10-9-
InChIKeyAZPLHDQWPNABNM-ACHWKMRWSA-N
XLogP1.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N'-[(2Z,4Z)-3-fluoro-1-phosphanylhexa-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(2E,4Z)-6-fluorohepta-2,4,6-trien-3-yl]-N,N'-dimethylethane-1,2-diamine
CID 143191827
N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 143846292
N'-ethyl-N'-[(2Z,4Z)-2-fluorohepta-2,4,6-trien-3-yl]-N-methylethane-1,2-diamine
CID 142272191
N'-hexa-2,4-dien-2-yl-N,N'-dimethylethane-1,2-diamine
CID 90908969
ethane;N'-ethyl-N'-[(2Z,4Z)-2-fluorohepta-2,4,6-trien-3-yl]-N-methylethane-1,2-diamine
CID 142272190
ethane;N'-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]-N,N'-dimethylethane-1,2-diamine
CID 143846291
N'-[(4Z)-hepta-1,2,4,6-tetraen-3-yl]-N,N'-dimethylethane-1,2-diamine
CID 155052430

Frequently Asked Questions

What is the IUPAC name of N'-[(2Z,4Z)-3-fluoro-1-phosphanylhexa-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[(2Z,4Z)-3-fluoro-1-phosphanylhexa-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine (CID 142440482) is N'-[(2Z,4Z)-3-fluoro-1-phosphanylhexa-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(2Z,4Z)-3-fluoro-1-phosphanylhexa-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[(2Z,4Z)-3-fluoro-1-phosphanylhexa-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine is C/C=C\C(F)=C(/CP)N(C)CCNC.
What is the InChIKey of N'-[(2Z,4Z)-3-fluoro-1-phosphanylhexa-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is AZPLHDQWPNABNM-ACHWKMRWSA-N. The full InChI is InChI=1S/C10H20FN2P/c1-4-5-9(11)10(8-14)13(3)7-6-12-2/h4-5,12H,6-8,14H2,1-3H3/b5-4-,10-9-.
What are the key properties of N'-[(2Z,4Z)-3-fluoro-1-phosphanylhexa-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine?
N'-[(2Z,4Z)-3-fluoro-1-phosphanylhexa-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 218.26 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2Z,4Z)-3-fluoro-1-phosphanylhexa-2,4-dien-2-yl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 142440482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).