(Z)-3-chloro-2-fluoro-3-(methylamino)prop-2-enimidoyl fluoride

C4H5ClF2N2 — CID 146392881

IUPAC(Z)-3-chloro-2-fluoro-3-(methylamino)prop-2-enimidoyl fluoride
SMILES[H]/N=C(F)/C(F)=C(/Cl)NC
InChIInChI=1S/C4H5ClF2N2/c1-9-3(5)2(6)4(7)8/h8-9H,1H3/b3-2+,8-4-
InChIKeyLSZFQZPMLQNBBW-HOJFPOIOSA-N
MW154.55 g/mol
LogP1.53
Rot. Bonds2

About (Z)-3-chloro-2-fluoro-3-(methylamino)prop-2-enimidoyl fluoride

(Z)-3-chloro-2-fluoro-3-(methylamino)prop-2-enimidoyl fluoride (PubChem CID 146392881) has the molecular formula C4H5ClF2N2 and a molecular weight of 154.55 g/mol. Its IUPAC name is (Z)-3-chloro-2-fluoro-3-(methylamino)prop-2-enimidoyl fluoride.

Molecular Properties

Compound Name(Z)-3-chloro-2-fluoro-3-(methylamino)prop-2-enimidoyl fluoride
PubChem CID146392881
Molecular FormulaC4H5ClF2N2
Molecular Weight154.55 g/mol
Exact Mass154.01
IUPAC Name(Z)-3-chloro-2-fluoro-3-(methylamino)prop-2-enimidoyl fluoride
SMILES[H]/N=C(F)/C(F)=C(/Cl)NC
InChIInChI=1S/C4H5ClF2N2/c1-9-3(5)2(6)4(7)8/h8-9H,1H3/b3-2+,8-4-
InChIKeyLSZFQZPMLQNBBW-HOJFPOIOSA-N
XLogP1.53
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.55
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

(E)-3-chloro-2-fluoro-3-(methylamino)prop-2-enamide
CID 134292437
3-chloro-2-(ethylamino)-3-(methylamino)-N-methylideneprop-2-enimidamide
CID 173476198
1-chloro-N,2-dimethylprop-1-en-1-amine
CID 86211686
(Z)-2-methyl-3-sulfanylbut-2-enimidoyl fluoride
CID 138494785
1-chloro-N,N'-dimethyl-2-silylethene-1,2-diamine
CID 173059307
3,4,4-trifluorobut-3-en-2-imine
CID 58488810
methylamino 2-chloroethanimidate
CID 142422213
(E)-2-methyl-3-(methylamino)prop-2-enimidoyl chloride
CID 167151920
magnesium;ethanimidoyl fluoride;hydride
CID 174794498
N-ethyl-N-(methylamino)carbamimidoyl fluoride
CID 170771742
3-chloro-2-cyano-3-(methylamino)propanimidoyl chloride
CID 91477961
(Z)-4-chloro-4-imino-3-methylbut-2-enimidoyl fluoride
CID 138494935

Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-2-fluoro-3-(methylamino)prop-2-enimidoyl fluoride?
The IUPAC name of (Z)-3-chloro-2-fluoro-3-(methylamino)prop-2-enimidoyl fluoride (CID 146392881) is (Z)-3-chloro-2-fluoro-3-(methylamino)prop-2-enimidoyl fluoride.
What is the SMILES notation for (Z)-3-chloro-2-fluoro-3-(methylamino)prop-2-enimidoyl fluoride?
The canonical SMILES for (Z)-3-chloro-2-fluoro-3-(methylamino)prop-2-enimidoyl fluoride is [H]/N=C(F)/C(F)=C(/Cl)NC.
What is the InChIKey of (Z)-3-chloro-2-fluoro-3-(methylamino)prop-2-enimidoyl fluoride?
The InChIKey is LSZFQZPMLQNBBW-HOJFPOIOSA-N. The full InChI is InChI=1S/C4H5ClF2N2/c1-9-3(5)2(6)4(7)8/h8-9H,1H3/b3-2+,8-4-.
What are the key properties of (Z)-3-chloro-2-fluoro-3-(methylamino)prop-2-enimidoyl fluoride?
(Z)-3-chloro-2-fluoro-3-(methylamino)prop-2-enimidoyl fluoride has a molecular weight of 154.55 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-2-fluoro-3-(methylamino)prop-2-enimidoyl fluoride is sourced from PubChem (CID 146392881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).