5,5,5-trifluoro-2-methyl-4-(trifluoromethyl)pentane-1,4-diol

C7H10F6O2 — CID 25179063

IUPAC5,5,5-trifluoro-2-methyl-4-(trifluoromethyl)pentane-1,4-diol
SMILESCC(CO)CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6O2/c1-4(3-14)2-5(15,6(8,9)10)7(11,12)13/h4,14-15H,2-3H2,1H3
InChIKeyNCVUGDNMWVTZAS-UHFFFAOYSA-N
MW240.14 g/mol
LogP1.86
Rot. Bonds3

About 5,5,5-trifluoro-2-methyl-4-(trifluoromethyl)pentane-1,4-diol

5,5,5-trifluoro-2-methyl-4-(trifluoromethyl)pentane-1,4-diol (PubChem CID 25179063) has the molecular formula C7H10F6O2 and a molecular weight of 240.14 g/mol. Its IUPAC name is 5,5,5-trifluoro-2-methyl-4-(trifluoromethyl)pentane-1,4-diol.

Molecular Properties

Compound Name5,5,5-trifluoro-2-methyl-4-(trifluoromethyl)pentane-1,4-diol
PubChem CID25179063
Molecular FormulaC7H10F6O2
Molecular Weight240.14 g/mol
Exact Mass240.06
IUPAC Name5,5,5-trifluoro-2-methyl-4-(trifluoromethyl)pentane-1,4-diol
SMILESCC(CO)CC(O)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6O2/c1-4(3-14)2-5(15,6(8,9)10)7(11,12)13/h4,14-15H,2-3H2,1H3
InChIKeyNCVUGDNMWVTZAS-UHFFFAOYSA-N
XLogP1.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.14
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-2-methyl-4-(trifluoromethyl)pentane-1,4-diol?
The IUPAC name of 5,5,5-trifluoro-2-methyl-4-(trifluoromethyl)pentane-1,4-diol (CID 25179063) is 5,5,5-trifluoro-2-methyl-4-(trifluoromethyl)pentane-1,4-diol.
What is the SMILES notation for 5,5,5-trifluoro-2-methyl-4-(trifluoromethyl)pentane-1,4-diol?
The canonical SMILES for 5,5,5-trifluoro-2-methyl-4-(trifluoromethyl)pentane-1,4-diol is CC(CO)CC(O)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-2-methyl-4-(trifluoromethyl)pentane-1,4-diol?
The InChIKey is NCVUGDNMWVTZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6O2/c1-4(3-14)2-5(15,6(8,9)10)7(11,12)13/h4,14-15H,2-3H2,1H3.
What are the key properties of 5,5,5-trifluoro-2-methyl-4-(trifluoromethyl)pentane-1,4-diol?
5,5,5-trifluoro-2-methyl-4-(trifluoromethyl)pentane-1,4-diol has a molecular weight of 240.14 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-2-methyl-4-(trifluoromethyl)pentane-1,4-diol is sourced from PubChem (CID 25179063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).