(1Z)-N-(trifluoromethylsulfonyl)undecanimidate

C12H21F3NO3S- — CID 155621357

IUPAC(1Z)-N-(trifluoromethylsulfonyl)undecanimidate
SMILESCCCCCCCCCC/C([O-])=N/S(=O)(=O)C(F)(F)F
InChIInChI=1S/C12H22F3NO3S/c1-2-3-4-5-6-7-8-9-10-11(17)16-20(18,19)12(13,14)15/h2-10H2,1H3,(H,16,17)/p-1
InChIKeyBLBCSPHSMQZBCD-UHFFFAOYSA-M
MW316.37 g/mol
LogP3.13
Rot. Bonds10

About (1Z)-N-(trifluoromethylsulfonyl)undecanimidate

(1Z)-N-(trifluoromethylsulfonyl)undecanimidate (PubChem CID 155621357) has the molecular formula C12H21F3NO3S- and a molecular weight of 316.37 g/mol. Its IUPAC name is (1Z)-N-(trifluoromethylsulfonyl)undecanimidate.

Molecular Properties

Compound Name(1Z)-N-(trifluoromethylsulfonyl)undecanimidate
PubChem CID155621357
Molecular FormulaC12H21F3NO3S-
Molecular Weight316.37 g/mol
Exact Mass316.12
IUPAC Name(1Z)-N-(trifluoromethylsulfonyl)undecanimidate
SMILESCCCCCCCCCC/C([O-])=N/S(=O)(=O)C(F)(F)F
InChIInChI=1S/C12H22F3NO3S/c1-2-3-4-5-6-7-8-9-10-11(17)16-20(18,19)12(13,14)15/h2-10H2,1H3,(H,16,17)/p-1
InChIKeyBLBCSPHSMQZBCD-UHFFFAOYSA-M
XLogP3.13
TPSA69.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E,1Z)-N-(trifluoromethylsulfonyl)octadec-9-enimidate
CID 155621297
(1Z)-6-(3-ethylimidazol-1-ium-1-yl)-N-(trifluoromethylsulfonyl)hexanimidate
CID 177480230
(1Z)-N-(trifluoromethylsulfonyl)-3-trimethylsilylpropanimidate
CID 155621370
tricosane;trifluoromethanesulfonic acid
CID 161255361
6-methylidenetetradecane
CID 21477883
6-methylidenedodecane
CID 21453027
sodium N-(2-sulfoethyl)pentadecanimidate
CID 101283121
potassium N-(2-sulfoethyl)nonadecanimidate
CID 101283135
potassium N-(2-sulfoethyl)tetracosanimidate
CID 101283150
potassium N-(3-sulfopropyl)hexadecanimidate
CID 101283698
potassium N-(3-sulfopropyl)icosanimidate
CID 101283713
sodium N-(2-sulfoethyl)hexadecanimidate
CID 101283125

Frequently Asked Questions

What is the IUPAC name of (1Z)-N-(trifluoromethylsulfonyl)undecanimidate?
The IUPAC name of (1Z)-N-(trifluoromethylsulfonyl)undecanimidate (CID 155621357) is (1Z)-N-(trifluoromethylsulfonyl)undecanimidate.
What is the SMILES notation for (1Z)-N-(trifluoromethylsulfonyl)undecanimidate?
The canonical SMILES for (1Z)-N-(trifluoromethylsulfonyl)undecanimidate is CCCCCCCCCC/C([O-])=N/S(=O)(=O)C(F)(F)F.
What is the InChIKey of (1Z)-N-(trifluoromethylsulfonyl)undecanimidate?
The InChIKey is BLBCSPHSMQZBCD-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H22F3NO3S/c1-2-3-4-5-6-7-8-9-10-11(17)16-20(18,19)12(13,14)15/h2-10H2,1H3,(H,16,17)/p-1.
What are the key properties of (1Z)-N-(trifluoromethylsulfonyl)undecanimidate?
(1Z)-N-(trifluoromethylsulfonyl)undecanimidate has a molecular weight of 316.37 g/mol, XLogP of 3.13, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N-(trifluoromethylsulfonyl)undecanimidate is sourced from PubChem (CID 155621357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).