(N-propan-2-yl-C-propylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;yttrium

C10H18F3N2Y- — CID 168742387

IUPAC(N-propan-2-yl-C-propylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;yttrium
SMILESCCC/C(=N\C(C)C)[N-]C(C)C(F)(F)F.[Y]
InChIInChI=1S/C10H18F3N2.Y/c1-5-6-9(14-7(2)3)15-8(4)10(11,12)13;/h7-8H,5-6H2,1-4H3;/q-1;
InChIKeySUWGFTDPMMHRKO-UHFFFAOYSA-N
MW312.17 g/mol
LogP3.92
Rot. Bonds4

About (N-propan-2-yl-C-propylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;yttrium

(N-propan-2-yl-C-propylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;yttrium (PubChem CID 168742387) has the molecular formula C10H18F3N2Y- and a molecular weight of 312.17 g/mol. Its IUPAC name is (N-propan-2-yl-C-propylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;yttrium.

Molecular Properties

Compound Name(N-propan-2-yl-C-propylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;yttrium
PubChem CID168742387
Molecular FormulaC10H18F3N2Y-
Molecular Weight312.17 g/mol
Exact Mass312.05
IUPAC Name(N-propan-2-yl-C-propylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;yttrium
SMILESCCC/C(=N\C(C)C)[N-]C(C)C(F)(F)F.[Y]
InChIInChI=1S/C10H18F3N2.Y/c1-5-6-9(14-7(2)3)15-8(4)10(11,12)13;/h7-8H,5-6H2,1-4H3;/q-1;
InChIKeySUWGFTDPMMHRKO-UHFFFAOYSA-N
XLogP3.92
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 53.92
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

1,1,1-trifluoro-N-propan-2-ylpropan-2-imine
CID 2759496
1,1,1-trifluoropropan-2-yl butanoate
CID 135290882
4,5-bis(trifluoromethyl)oct-4-ene
CID 140514090
CID 168742356
CID 168742356
CID 168742263
CID 168742263
methyl 3-propan-2-yliminohexanoate
CID 139895331
2-methyl-N-propan-2-ylbutanimidoyl fluoride
CID 134344210
4-(C-methyl-N-propan-2-ylcarbonimidoyl)heptan-4-ol;promethium
CID 153491768
1,1,1-trifluoro-2-hydroxy-2-methylheptan-4-one
CID 153345536
5-methyl-5-propan-2-yloctan-4-one
CID 123521732
(4R)-5-ethyl-2,4-dimethyl-3-propan-2-yl-4-(trifluoromethyl)heptane
CID 167052231
diethyl 2,3-bis(1,1,1-trifluoropropan-2-yl)but-2-enedioate
CID 173178621

Frequently Asked Questions

What is the IUPAC name of (N-propan-2-yl-C-propylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;yttrium?
The IUPAC name of (N-propan-2-yl-C-propylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;yttrium (CID 168742387) is (N-propan-2-yl-C-propylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;yttrium.
What is the SMILES notation for (N-propan-2-yl-C-propylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;yttrium?
The canonical SMILES for (N-propan-2-yl-C-propylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;yttrium is CCC/C(=N\C(C)C)[N-]C(C)C(F)(F)F.[Y].
What is the InChIKey of (N-propan-2-yl-C-propylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;yttrium?
The InChIKey is SUWGFTDPMMHRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3N2.Y/c1-5-6-9(14-7(2)3)15-8(4)10(11,12)13;/h7-8H,5-6H2,1-4H3;/q-1;.
What are the key properties of (N-propan-2-yl-C-propylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;yttrium?
(N-propan-2-yl-C-propylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;yttrium has a molecular weight of 312.17 g/mol, XLogP of 3.92, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (N-propan-2-yl-C-propylcarbonimidoyl)-(1,1,1-trifluoropropan-2-yl)azanide;yttrium is sourced from PubChem (CID 168742387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).