N-[(Z)-2-fluoro-1-methylsulfanylprop-1-enyl]propan-2-imine

C7H12FNS — CID 176708155

IUPACN-[(Z)-2-fluoro-1-methylsulfanylprop-1-enyl]propan-2-imine
SMILESCS/C(N=C(C)C)=C(/C)F
InChIInChI=1S/C7H12FNS/c1-5(2)9-7(10-4)6(3)8/h1-4H3/b7-6-
InChIKeyMUOBKQNUYCATOJ-SREVYHEPSA-N
MW161.24 g/mol
LogP2.99
Rot. Bonds2

About N-[(Z)-2-fluoro-1-methylsulfanylprop-1-enyl]propan-2-imine

N-[(Z)-2-fluoro-1-methylsulfanylprop-1-enyl]propan-2-imine (PubChem CID 176708155) has the molecular formula C7H12FNS and a molecular weight of 161.24 g/mol. Its IUPAC name is N-[(Z)-2-fluoro-1-methylsulfanylprop-1-enyl]propan-2-imine.

Molecular Properties

Compound NameN-[(Z)-2-fluoro-1-methylsulfanylprop-1-enyl]propan-2-imine
PubChem CID176708155
Molecular FormulaC7H12FNS
Molecular Weight161.24 g/mol
Exact Mass161.07
IUPAC NameN-[(Z)-2-fluoro-1-methylsulfanylprop-1-enyl]propan-2-imine
SMILESCS/C(N=C(C)C)=C(/C)F
InChIInChI=1S/C7H12FNS/c1-5(2)9-7(10-4)6(3)8/h1-4H3/b7-6-
InChIKeyMUOBKQNUYCATOJ-SREVYHEPSA-N
XLogP2.99
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.24
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methylsulfanylethenyl)propan-2-imine
CID 154522088
(E)-2,3-difluorobut-2-ene
CID 59928419
N-[(1Z)-2-(1-ethoxyethoxy)-1-methylsulfanylbuta-1,3-dienyl]propan-2-imine
CID 25111095
N'-methyl-N-propan-2-ylideneethanimidamide
CID 158478143
ethane;N'-methyl-N-propan-2-ylideneethanimidamide
CID 142000403
(Z)-1-(1,1-difluoropropan-2-ylideneamino)-1-methylsulfanylbut-1-en-2-amine
CID 163880553
N-[(Z)-4-methyl-3-methylsulfanylpent-2-en-2-yl]methanimine
CID 126704572
N'-propan-2-yl-N-propan-2-ylideneethanimidamide
CID 143703583
(2Z,4Z)-2,3,4,5-tetrafluorohexa-2,4-diene
CID 24973613
ethane;N-(3-methylbut-2-en-2-yl)propan-2-imine
CID 143677129
N-[(Z)-2-methylsulfanylprop-1-enyl]propan-2-imine
CID 89307973
methyl N'-carbamothioylcarbamimidothioate
CID 11744796

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-fluoro-1-methylsulfanylprop-1-enyl]propan-2-imine?
The IUPAC name of N-[(Z)-2-fluoro-1-methylsulfanylprop-1-enyl]propan-2-imine (CID 176708155) is N-[(Z)-2-fluoro-1-methylsulfanylprop-1-enyl]propan-2-imine.
What is the SMILES notation for N-[(Z)-2-fluoro-1-methylsulfanylprop-1-enyl]propan-2-imine?
The canonical SMILES for N-[(Z)-2-fluoro-1-methylsulfanylprop-1-enyl]propan-2-imine is CS/C(N=C(C)C)=C(/C)F.
What is the InChIKey of N-[(Z)-2-fluoro-1-methylsulfanylprop-1-enyl]propan-2-imine?
The InChIKey is MUOBKQNUYCATOJ-SREVYHEPSA-N. The full InChI is InChI=1S/C7H12FNS/c1-5(2)9-7(10-4)6(3)8/h1-4H3/b7-6-.
What are the key properties of N-[(Z)-2-fluoro-1-methylsulfanylprop-1-enyl]propan-2-imine?
N-[(Z)-2-fluoro-1-methylsulfanylprop-1-enyl]propan-2-imine has a molecular weight of 161.24 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-fluoro-1-methylsulfanylprop-1-enyl]propan-2-imine is sourced from PubChem (CID 176708155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).