4,5,5,5-tetrafluoro-1-methoxy-4-(trifluoromethyl)pentan-1-ol

C7H9F7O2 — CID 163444865

IUPAC4,5,5,5-tetrafluoro-1-methoxy-4-(trifluoromethyl)pentan-1-ol
SMILESCOC(O)CCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H9F7O2/c1-16-4(15)2-3-5(8,6(9,10)11)7(12,13)14/h4,15H,2-3H2,1H3
InChIKeyBBQRQPNQLPIZBX-UHFFFAOYSA-N
MW258.13 g/mol
LogP2.56
Rot. Bonds4

About 4,5,5,5-tetrafluoro-1-methoxy-4-(trifluoromethyl)pentan-1-ol

4,5,5,5-tetrafluoro-1-methoxy-4-(trifluoromethyl)pentan-1-ol (PubChem CID 163444865) has the molecular formula C7H9F7O2 and a molecular weight of 258.13 g/mol. Its IUPAC name is 4,5,5,5-tetrafluoro-1-methoxy-4-(trifluoromethyl)pentan-1-ol.

Molecular Properties

Compound Name4,5,5,5-tetrafluoro-1-methoxy-4-(trifluoromethyl)pentan-1-ol
PubChem CID163444865
Molecular FormulaC7H9F7O2
Molecular Weight258.13 g/mol
Exact Mass258.05
IUPAC Name4,5,5,5-tetrafluoro-1-methoxy-4-(trifluoromethyl)pentan-1-ol
SMILESCOC(O)CCC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H9F7O2/c1-16-4(15)2-3-5(8,6(9,10)11)7(12,13)14/h4,15H,2-3H2,1H3
InChIKeyBBQRQPNQLPIZBX-UHFFFAOYSA-N
XLogP2.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4,5,5,5-tetrafluoro-1-methoxy-4-(trifluoromethyl)pentan-1-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 4,5,5,5-tetrafluoro-1-methoxy-4-(trifluoromethyl)pentan-1-ol?
The IUPAC name of 4,5,5,5-tetrafluoro-1-methoxy-4-(trifluoromethyl)pentan-1-ol (CID 163444865) is 4,5,5,5-tetrafluoro-1-methoxy-4-(trifluoromethyl)pentan-1-ol.
What is the SMILES notation for 4,5,5,5-tetrafluoro-1-methoxy-4-(trifluoromethyl)pentan-1-ol?
The canonical SMILES for 4,5,5,5-tetrafluoro-1-methoxy-4-(trifluoromethyl)pentan-1-ol is COC(O)CCC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,5,5,5-tetrafluoro-1-methoxy-4-(trifluoromethyl)pentan-1-ol?
The InChIKey is BBQRQPNQLPIZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F7O2/c1-16-4(15)2-3-5(8,6(9,10)11)7(12,13)14/h4,15H,2-3H2,1H3.
What are the key properties of 4,5,5,5-tetrafluoro-1-methoxy-4-(trifluoromethyl)pentan-1-ol?
4,5,5,5-tetrafluoro-1-methoxy-4-(trifluoromethyl)pentan-1-ol has a molecular weight of 258.13 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5,5-tetrafluoro-1-methoxy-4-(trifluoromethyl)pentan-1-ol is sourced from PubChem (CID 163444865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).