(Z)-4,4-difluoro-3-methylimino-4-phosphanylbut-1-en-1-amine

C5H9F2N2P — CID 178152509

IUPAC(Z)-4,4-difluoro-3-methylimino-4-phosphanylbut-1-en-1-amine
SMILESC/N=C(/C=C\N)C(F)(F)P
InChIInChI=1S/C5H9F2N2P/c1-9-4(2-3-8)5(6,7)10/h2-3H,8,10H2,1H3/b3-2-,9-4-
InChIKeyGAYIKIBFTKHPIA-UARZHTBLSA-N
MW166.11 g/mol
LogP1.00
Rot. Bonds2

About (Z)-4,4-difluoro-3-methylimino-4-phosphanylbut-1-en-1-amine

(Z)-4,4-difluoro-3-methylimino-4-phosphanylbut-1-en-1-amine (PubChem CID 178152509) has the molecular formula C5H9F2N2P and a molecular weight of 166.11 g/mol. Its IUPAC name is (Z)-4,4-difluoro-3-methylimino-4-phosphanylbut-1-en-1-amine.

Molecular Properties

Compound Name(Z)-4,4-difluoro-3-methylimino-4-phosphanylbut-1-en-1-amine
PubChem CID178152509
Molecular FormulaC5H9F2N2P
Molecular Weight166.11 g/mol
Exact Mass166.05
IUPAC Name(Z)-4,4-difluoro-3-methylimino-4-phosphanylbut-1-en-1-amine
SMILESC/N=C(/C=C\N)C(F)(F)P
InChIInChI=1S/C5H9F2N2P/c1-9-4(2-3-8)5(6,7)10/h2-3H,8,10H2,1H3/b3-2-,9-4-
InChIKeyGAYIKIBFTKHPIA-UARZHTBLSA-N
XLogP1.00
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.11
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 143155642
1,1,1,5,5,5-hexafluoro-4-methyliminopent-2-en-2-amine
CID 149273405
(Z)-3-amino-N-methylprop-2-enimidoyl chloride;ethane
CID 143705298
[C-[(Z)-2-aminoethenyl]-N-methylcarbonimidoyl]boronic acid
CID 163401081
4-amino-2-methyliminobut-3-enal
CID 159791397
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CID 169163898
(E)-2-fluoro-3-methyliminobut-1-en-1-amine
CID 142977565
(Z)-3-amino-N-ethenyl-N'-methylprop-2-enimidamide
CID 89191764
(Z)-5,5,5-trifluoro-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 59782155
(3Z)-1,1,1-trifluoro-N,4-dimethylhexa-3,5-dien-2-imine
CID 177050310
(4Z)-2-methyl-3-methyliminohepta-4,6-dien-2-amine
CID 170583082
2,2,2-trifluoro-N'-methylethanimidamide;hydrochloride
CID 121231764

Frequently Asked Questions

What is the IUPAC name of (Z)-4,4-difluoro-3-methylimino-4-phosphanylbut-1-en-1-amine?
The IUPAC name of (Z)-4,4-difluoro-3-methylimino-4-phosphanylbut-1-en-1-amine (CID 178152509) is (Z)-4,4-difluoro-3-methylimino-4-phosphanylbut-1-en-1-amine.
What is the SMILES notation for (Z)-4,4-difluoro-3-methylimino-4-phosphanylbut-1-en-1-amine?
The canonical SMILES for (Z)-4,4-difluoro-3-methylimino-4-phosphanylbut-1-en-1-amine is C/N=C(/C=C\N)C(F)(F)P.
What is the InChIKey of (Z)-4,4-difluoro-3-methylimino-4-phosphanylbut-1-en-1-amine?
The InChIKey is GAYIKIBFTKHPIA-UARZHTBLSA-N. The full InChI is InChI=1S/C5H9F2N2P/c1-9-4(2-3-8)5(6,7)10/h2-3H,8,10H2,1H3/b3-2-,9-4-.
What are the key properties of (Z)-4,4-difluoro-3-methylimino-4-phosphanylbut-1-en-1-amine?
(Z)-4,4-difluoro-3-methylimino-4-phosphanylbut-1-en-1-amine has a molecular weight of 166.11 g/mol, XLogP of 1.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4-difluoro-3-methylimino-4-phosphanylbut-1-en-1-amine is sourced from PubChem (CID 178152509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).