1,1,1,3,3-pentafluoro-2-methylpentan-2-ol

C6H9F5O — CID 59302177

IUPAC1,1,1,3,3-pentafluoro-2-methylpentan-2-ol
SMILESCCC(F)(F)C(C)(O)C(F)(F)F
InChIInChI=1S/C6H9F5O/c1-3-5(7,8)4(2,12)6(9,10)11/h12H,3H2,1-2H3
InChIKeyHGVDMMIOXDNDOL-UHFFFAOYSA-N
MW192.13 g/mol
LogP2.35
Rot. Bonds2

About 1,1,1,3,3-pentafluoro-2-methylpentan-2-ol

1,1,1,3,3-pentafluoro-2-methylpentan-2-ol (PubChem CID 59302177) has the molecular formula C6H9F5O and a molecular weight of 192.13 g/mol. Its IUPAC name is 1,1,1,3,3-pentafluoro-2-methylpentan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3-pentafluoro-2-methylpentan-2-ol
PubChem CID59302177
Molecular FormulaC6H9F5O
Molecular Weight192.13 g/mol
Exact Mass192.06
IUPAC Name1,1,1,3,3-pentafluoro-2-methylpentan-2-ol
SMILESCCC(F)(F)C(C)(O)C(F)(F)F
InChIInChI=1S/C6H9F5O/c1-3-5(7,8)4(2,12)6(9,10)11/h12H,3H2,1-2H3
InChIKeyHGVDMMIOXDNDOL-UHFFFAOYSA-N
XLogP2.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.13
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1,1,3,3-pentafluoro-2-methylpentan-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 1,1,1,3,3-pentafluoro-2-methylpentan-2-ol?
The IUPAC name of 1,1,1,3,3-pentafluoro-2-methylpentan-2-ol (CID 59302177) is 1,1,1,3,3-pentafluoro-2-methylpentan-2-ol.
What is the SMILES notation for 1,1,1,3,3-pentafluoro-2-methylpentan-2-ol?
The canonical SMILES for 1,1,1,3,3-pentafluoro-2-methylpentan-2-ol is CCC(F)(F)C(C)(O)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3-pentafluoro-2-methylpentan-2-ol?
The InChIKey is HGVDMMIOXDNDOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F5O/c1-3-5(7,8)4(2,12)6(9,10)11/h12H,3H2,1-2H3.
What are the key properties of 1,1,1,3,3-pentafluoro-2-methylpentan-2-ol?
1,1,1,3,3-pentafluoro-2-methylpentan-2-ol has a molecular weight of 192.13 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3-pentafluoro-2-methylpentan-2-ol is sourced from PubChem (CID 59302177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).