1,1,1-trifluoro-4-imino-2-(trifluoromethyl)pentan-2-ol

C6H7F6NO — CID 89059599

IUPAC1,1,1-trifluoro-4-imino-2-(trifluoromethyl)pentan-2-ol
SMILES[H]/N=C(\C)CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F6NO/c1-3(13)2-4(14,5(7,8)9)6(10,11)12/h13-14H,2H2,1H3/b13-3+
InChIKeyIQBZDTCOIWBAJG-QLKAYGNNSA-N
MW223.12 g/mol
LogP2.27
Rot. Bonds2

About 1,1,1-trifluoro-4-imino-2-(trifluoromethyl)pentan-2-ol

1,1,1-trifluoro-4-imino-2-(trifluoromethyl)pentan-2-ol (PubChem CID 89059599) has the molecular formula C6H7F6NO and a molecular weight of 223.12 g/mol. Its IUPAC name is 1,1,1-trifluoro-4-imino-2-(trifluoromethyl)pentan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-4-imino-2-(trifluoromethyl)pentan-2-ol
PubChem CID89059599
Molecular FormulaC6H7F6NO
Molecular Weight223.12 g/mol
Exact Mass223.04
IUPAC Name1,1,1-trifluoro-4-imino-2-(trifluoromethyl)pentan-2-ol
SMILES[H]/N=C(\C)CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F6NO/c1-3(13)2-4(14,5(7,8)9)6(10,11)12/h13-14H,2H2,1H3/b13-3+
InChIKeyIQBZDTCOIWBAJG-QLKAYGNNSA-N
XLogP2.27
TPSA44.08 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.12
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,1,1-trifluoro-4-imino-2-(trifluoromethyl)pentan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4-imino-2-(trifluoromethyl)pentan-2-ol?
The IUPAC name of 1,1,1-trifluoro-4-imino-2-(trifluoromethyl)pentan-2-ol (CID 89059599) is 1,1,1-trifluoro-4-imino-2-(trifluoromethyl)pentan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-4-imino-2-(trifluoromethyl)pentan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-4-imino-2-(trifluoromethyl)pentan-2-ol is [H]/N=C(\C)CC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4-imino-2-(trifluoromethyl)pentan-2-ol?
The InChIKey is IQBZDTCOIWBAJG-QLKAYGNNSA-N. The full InChI is InChI=1S/C6H7F6NO/c1-3(13)2-4(14,5(7,8)9)6(10,11)12/h13-14H,2H2,1H3/b13-3+.
What are the key properties of 1,1,1-trifluoro-4-imino-2-(trifluoromethyl)pentan-2-ol?
1,1,1-trifluoro-4-imino-2-(trifluoromethyl)pentan-2-ol has a molecular weight of 223.12 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4-imino-2-(trifluoromethyl)pentan-2-ol is sourced from PubChem (CID 89059599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).