4,5,5,5-tetrafluoro-2-methyl-4-(trifluoromethyl)pentan-1-ol

C7H9F7O — CID 58918808

IUPAC4,5,5,5-tetrafluoro-2-methyl-4-(trifluoromethyl)pentan-1-ol
SMILESCC(CO)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H9F7O/c1-4(3-15)2-5(8,6(9,10)11)7(12,13)14/h4,15H,2-3H2,1H3
InChIKeyFKYSAMFYJDAWCC-UHFFFAOYSA-N
MW242.13 g/mol
LogP2.84
Rot. Bonds3

About 4,5,5,5-tetrafluoro-2-methyl-4-(trifluoromethyl)pentan-1-ol

4,5,5,5-tetrafluoro-2-methyl-4-(trifluoromethyl)pentan-1-ol (PubChem CID 58918808) has the molecular formula C7H9F7O and a molecular weight of 242.13 g/mol. Its IUPAC name is 4,5,5,5-tetrafluoro-2-methyl-4-(trifluoromethyl)pentan-1-ol.

Molecular Properties

Compound Name4,5,5,5-tetrafluoro-2-methyl-4-(trifluoromethyl)pentan-1-ol
PubChem CID58918808
Molecular FormulaC7H9F7O
Molecular Weight242.13 g/mol
Exact Mass242.05
IUPAC Name4,5,5,5-tetrafluoro-2-methyl-4-(trifluoromethyl)pentan-1-ol
SMILESCC(CO)CC(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H9F7O/c1-4(3-15)2-5(8,6(9,10)11)7(12,13)14/h4,15H,2-3H2,1H3
InChIKeyFKYSAMFYJDAWCC-UHFFFAOYSA-N
XLogP2.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.13
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,5,5,5-tetrafluoro-2-methyl-4-(trifluoromethyl)pentan-1-ol?
The IUPAC name of 4,5,5,5-tetrafluoro-2-methyl-4-(trifluoromethyl)pentan-1-ol (CID 58918808) is 4,5,5,5-tetrafluoro-2-methyl-4-(trifluoromethyl)pentan-1-ol.
What is the SMILES notation for 4,5,5,5-tetrafluoro-2-methyl-4-(trifluoromethyl)pentan-1-ol?
The canonical SMILES for 4,5,5,5-tetrafluoro-2-methyl-4-(trifluoromethyl)pentan-1-ol is CC(CO)CC(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 4,5,5,5-tetrafluoro-2-methyl-4-(trifluoromethyl)pentan-1-ol?
The InChIKey is FKYSAMFYJDAWCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F7O/c1-4(3-15)2-5(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-2-methyl-4-(trifluoromethyl)pentan-1-ol?
4,5,5,5-tetrafluoro-2-methyl-4-(trifluoromethyl)pentan-1-ol has a molecular weight of 242.13 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5,5,5-tetrafluoro-2-methyl-4-(trifluoromethyl)pentan-1-ol is sourced from PubChem (CID 58918808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).