(2Z)-1-N-methyl-2-(1,1,1-trifluoropropan-2-ylidene)butane-1,3-diimine

C8H11F3N2 — CID 144910954

IUPAC(2Z)-1-N-methyl-2-(1,1,1-trifluoropropan-2-ylidene)butane-1,3-diimine
SMILES[H]/N=C(C)/C(/C=N/C)=C(/C)C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-5(8(9,10)11)7(4-13-3)6(2)12/h4,12H,1-3H3/b7-5-,12-6+,13-4+
InChIKeyQOMXKDVVIKGYLR-YMXRGAKFSA-N
MW192.18 g/mol
LogP2.61
Rot. Bonds2

About (2Z)-1-N-methyl-2-(1,1,1-trifluoropropan-2-ylidene)butane-1,3-diimine

(2Z)-1-N-methyl-2-(1,1,1-trifluoropropan-2-ylidene)butane-1,3-diimine (PubChem CID 144910954) has the molecular formula C8H11F3N2 and a molecular weight of 192.18 g/mol. Its IUPAC name is (2Z)-1-N-methyl-2-(1,1,1-trifluoropropan-2-ylidene)butane-1,3-diimine.

Molecular Properties

Compound Name(2Z)-1-N-methyl-2-(1,1,1-trifluoropropan-2-ylidene)butane-1,3-diimine
PubChem CID144910954
Molecular FormulaC8H11F3N2
Molecular Weight192.18 g/mol
Exact Mass192.09
IUPAC Name(2Z)-1-N-methyl-2-(1,1,1-trifluoropropan-2-ylidene)butane-1,3-diimine
SMILES[H]/N=C(C)/C(/C=N/C)=C(/C)C(F)(F)F
InChIInChI=1S/C8H11F3N2/c1-5(8(9,10)11)7(4-13-3)6(2)12/h4,12H,1-3H3/b7-5-,12-6+,13-4+
InChIKeyQOMXKDVVIKGYLR-YMXRGAKFSA-N
XLogP2.61
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E)-2-butan-2-ylidene-1-N-(difluoromethyl)butane-1,3-diimine
CID 123486147
(Z)-5,5,5-trifluoro-4-N-propylidenepent-3-ene-2,4-diimine
CID 123539659
(E)-3-fluoro-2-methylpent-2-ene-1,4-diimine
CID 138494920
(E)-5,5,5-trifluoro-N,3,4-trimethylpent-3-en-2-imine
CID 145644306
1,1,1-Trifluoro-3-methyl-4-methyliminopent-2-en-2-amine
CID 162554821
(Z)-5-N-methyl-3,4-bis(trifluoromethyl)hex-3-ene-2,5-diimine
CID 162595351
N'-[(Z)-1,1,1-trifluoro-3-methylpent-2-en-2-yl]butane-1,4-diimine
CID 166907334
(Z)-1,1,1-trifluoro-4-methyl-3-(methyliminomethyl)pent-2-en-2-amine
CID 170386989
(Z)-1,1,1-trifluoro-3-(methyliminomethyl)pent-2-en-2-amine
CID 170414993
1,1,1-Trifluoro-3-methyl-4-propyliminopent-2-en-2-amine
CID 173816033
4-Cyclopropylimino-1,1,1-trifluoro-3-methylpent-2-en-2-amine
CID 173816037
3-Ethyl-1,1,1-trifluoro-4-methyliminopent-2-en-2-amine
CID 173968319

Frequently Asked Questions

What is the IUPAC name of (2Z)-1-N-methyl-2-(1,1,1-trifluoropropan-2-ylidene)butane-1,3-diimine?
The IUPAC name of (2Z)-1-N-methyl-2-(1,1,1-trifluoropropan-2-ylidene)butane-1,3-diimine (CID 144910954) is (2Z)-1-N-methyl-2-(1,1,1-trifluoropropan-2-ylidene)butane-1,3-diimine.
What is the SMILES notation for (2Z)-1-N-methyl-2-(1,1,1-trifluoropropan-2-ylidene)butane-1,3-diimine?
The canonical SMILES for (2Z)-1-N-methyl-2-(1,1,1-trifluoropropan-2-ylidene)butane-1,3-diimine is [H]/N=C(C)/C(/C=N/C)=C(/C)C(F)(F)F.
What is the InChIKey of (2Z)-1-N-methyl-2-(1,1,1-trifluoropropan-2-ylidene)butane-1,3-diimine?
The InChIKey is QOMXKDVVIKGYLR-YMXRGAKFSA-N. The full InChI is InChI=1S/C8H11F3N2/c1-5(8(9,10)11)7(4-13-3)6(2)12/h4,12H,1-3H3/b7-5-,12-6+,13-4+.
What are the key properties of (2Z)-1-N-methyl-2-(1,1,1-trifluoropropan-2-ylidene)butane-1,3-diimine?
(2Z)-1-N-methyl-2-(1,1,1-trifluoropropan-2-ylidene)butane-1,3-diimine has a molecular weight of 192.18 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1-N-methyl-2-(1,1,1-trifluoropropan-2-ylidene)butane-1,3-diimine is sourced from PubChem (CID 144910954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).