1,1,1-trifluoro-N-propan-2-ylpropan-2-imine

C6H10F3N — CID 2759496

IUPAC1,1,1-trifluoro-N-propan-2-ylpropan-2-imine
SMILESC/C(=N\C(C)C)C(F)(F)F
InChIInChI=1S/C6H10F3N/c1-4(2)10-5(3)6(7,8)9/h4H,1-3H3/b10-5+
InChIKeyYTBBOHJDGLEWEF-BJMVGYQFSA-N
MW153.15 g/mol
LogP2.42
Rot. Bonds1

About 1,1,1-trifluoro-N-propan-2-ylpropan-2-imine

1,1,1-trifluoro-N-propan-2-ylpropan-2-imine (PubChem CID 2759496) has the molecular formula C6H10F3N and a molecular weight of 153.15 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-propan-2-ylpropan-2-imine.

Molecular Properties

Compound Name1,1,1-trifluoro-N-propan-2-ylpropan-2-imine
PubChem CID2759496
Molecular FormulaC6H10F3N
Molecular Weight153.15 g/mol
Exact Mass153.08
IUPAC Name1,1,1-trifluoro-N-propan-2-ylpropan-2-imine
SMILESC/C(=N\C(C)C)C(F)(F)F
InChIInChI=1S/C6H10F3N/c1-4(2)10-5(3)6(7,8)9/h4H,1-3H3/b10-5+
InChIKeyYTBBOHJDGLEWEF-BJMVGYQFSA-N
XLogP2.42
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.15
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1,1-trifluoro-N-propan-2-ylpropan-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1-Trifluoro-4-methyl-3-azapent-3-ene
CID 3719001
2,2-difluoro-N-propan-2-ylethanimidoyl bromide
CID 13885089
N-ethyl-1,1,1-trifluoropropan-2-imine
CID 54405088
1,1,1-trifluoro-N-(1,1,1-trifluoropropan-2-yl)propan-2-imine
CID 59948137
1,1,1-trifluoro-N-methylpropan-2-imine
CID 89398469
N-(1,1,1-trifluoropropan-2-yl)butan-1-imine
CID 90728305
1,1-difluoro-N-propan-2-ylpropan-2-imine
CID 118395128
3,3-difluoro-N-methylbutan-2-imine
CID 118402616
1,1-difluoro-N-methylpropan-2-imine
CID 123319591
N-butyl-1,1,1-trifluoropropan-2-imine
CID 123325308
N-ethyl-1-fluoropropan-2-imine
CID 123411931
Dimethyl(1,1,1-trifluoropropan-2-ylidene)azanium
CID 123515784

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-propan-2-ylpropan-2-imine?
The IUPAC name of 1,1,1-trifluoro-N-propan-2-ylpropan-2-imine (CID 2759496) is 1,1,1-trifluoro-N-propan-2-ylpropan-2-imine.
What is the SMILES notation for 1,1,1-trifluoro-N-propan-2-ylpropan-2-imine?
The canonical SMILES for 1,1,1-trifluoro-N-propan-2-ylpropan-2-imine is C/C(=N\C(C)C)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-propan-2-ylpropan-2-imine?
The InChIKey is YTBBOHJDGLEWEF-BJMVGYQFSA-N. The full InChI is InChI=1S/C6H10F3N/c1-4(2)10-5(3)6(7,8)9/h4H,1-3H3/b10-5+.
What are the key properties of 1,1,1-trifluoro-N-propan-2-ylpropan-2-imine?
1,1,1-trifluoro-N-propan-2-ylpropan-2-imine has a molecular weight of 153.15 g/mol, XLogP of 2.42, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-propan-2-ylpropan-2-imine is sourced from PubChem (CID 2759496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).