CID 168742263

C11H20F3N2Sn — CID 168742263

IUPAC—
SMILESCCC/C(=N\C(C)(C)C)N([Sn])C(C)C(F)(F)F
InChIInChI=1S/C11H20F3N2.Sn/c1-6-7-9(16-10(3,4)5)15-8(2)11(12,13)14;/h8H,6-7H2,1-5H3;/q-1;+1
InChIKeyMKWQMLSPWHFCFA-UHFFFAOYSA-N
MW356.00 g/mol
LogP3.32
Rot. Bonds3

About CID 168742263

CID 168742263 (PubChem CID 168742263) has the molecular formula C11H20F3N2Sn and a molecular weight of 356.00 g/mol.

Molecular Properties

Compound NameCID 168742263
PubChem CID168742263
Molecular FormulaC11H20F3N2Sn
Molecular Weight356.00 g/mol
Exact Mass357.06
IUPAC Name—
SMILESCCC/C(=N\C(C)(C)C)N([Sn])C(C)C(F)(F)F
InChIInChI=1S/C11H20F3N2.Sn/c1-6-7-9(16-10(3,4)5)15-8(2)11(12,13)14;/h8H,6-7H2,1-5H3;/q-1;+1
InChIKeyMKWQMLSPWHFCFA-UHFFFAOYSA-N
XLogP3.32
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.00
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 168742356
CID 168742356
N-tert-butyl-2-methylpentan-3-imine
CID 12705448
N-(3-ethyl-2-methylpentan-3-yl)pentan-2-imine
CID 166671410
5-methyl-5-propan-2-yloctan-4-one
CID 123521732
1,1,1-trifluoropropan-2-yl butanoate
CID 135290882
(N-propan-2-yl-C-propylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;yttrium
CID 168742387
3-(diethylamino)-1,1,1-trifluoro-2-(trifluoromethyl)butan-2-ol;nickel
CID 169074008
(Z)-N-[(E)-3-methylbutan-2-ylideneamino]pentan-2-imine
CID 170442301
N-tert-butyl-2,6-dimethylheptan-4-imine
CID 155787750
methane;(E)-N-[(E)-pentan-2-ylideneamino]pentan-2-imine
CID 172950111
4,5-bis(trifluoromethyl)oct-4-ene
CID 140514090
2,2,3-trimethyl-3-propan-2-ylheptan-4-one
CID 170848971

Frequently Asked Questions

What is the IUPAC name of CID 168742263?
The IUPAC name of CID 168742263 (CID 168742263) is not available.
What is the SMILES notation for CID 168742263?
The canonical SMILES for CID 168742263 is CCC/C(=N\C(C)(C)C)N([Sn])C(C)C(F)(F)F.
What is the InChIKey of CID 168742263?
The InChIKey is MKWQMLSPWHFCFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N2.Sn/c1-6-7-9(16-10(3,4)5)15-8(2)11(12,13)14;/h8H,6-7H2,1-5H3;/q-1;+1.
What are the key properties of CID 168742263?
CID 168742263 has a molecular weight of 356.00 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168742263 is sourced from PubChem (CID 168742263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).