2,2,3,4,4,5,6,6,6-nonafluoro-3-(trifluoromethyl)hexan-1-ol

C7H4F12O — CID 11381976

IUPAC2,2,3,4,4,5,6,6,6-nonafluoro-3-(trifluoromethyl)hexan-1-ol
SMILESOCC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C7H4F12O/c8-2(5(13,14)15)4(11,12)6(16,7(17,18)19)3(9,10)1-20/h2,20H,1H2
InChIKeyDEKXGSJIFAGYPI-UHFFFAOYSA-N
MW332.08 g/mol
LogP3.42
Rot. Bonds4

About 2,2,3,4,4,5,6,6,6-nonafluoro-3-(trifluoromethyl)hexan-1-ol

2,2,3,4,4,5,6,6,6-nonafluoro-3-(trifluoromethyl)hexan-1-ol (PubChem CID 11381976) has the molecular formula C7H4F12O and a molecular weight of 332.08 g/mol. Its IUPAC name is 2,2,3,4,4,5,6,6,6-nonafluoro-3-(trifluoromethyl)hexan-1-ol.

Molecular Properties

Compound Name2,2,3,4,4,5,6,6,6-nonafluoro-3-(trifluoromethyl)hexan-1-ol
PubChem CID11381976
Molecular FormulaC7H4F12O
Molecular Weight332.08 g/mol
Exact Mass332.01
IUPAC Name2,2,3,4,4,5,6,6,6-nonafluoro-3-(trifluoromethyl)hexan-1-ol
SMILESOCC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)C(F)(F)F
InChIInChI=1S/C7H4F12O/c8-2(5(13,14)15)4(11,12)6(16,7(17,18)19)3(9,10)1-20/h2,20H,1H2
InChIKeyDEKXGSJIFAGYPI-UHFFFAOYSA-N
XLogP3.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.08
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,4,4,5,6,6,6-nonafluoro-3-(trifluoromethyl)hexan-1-ol?
The IUPAC name of 2,2,3,4,4,5,6,6,6-nonafluoro-3-(trifluoromethyl)hexan-1-ol (CID 11381976) is 2,2,3,4,4,5,6,6,6-nonafluoro-3-(trifluoromethyl)hexan-1-ol.
What is the SMILES notation for 2,2,3,4,4,5,6,6,6-nonafluoro-3-(trifluoromethyl)hexan-1-ol?
The canonical SMILES for 2,2,3,4,4,5,6,6,6-nonafluoro-3-(trifluoromethyl)hexan-1-ol is OCC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)C(F)(F)F.
What is the InChIKey of 2,2,3,4,4,5,6,6,6-nonafluoro-3-(trifluoromethyl)hexan-1-ol?
The InChIKey is DEKXGSJIFAGYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F12O/c8-2(5(13,14)15)4(11,12)6(16,7(17,18)19)3(9,10)1-20/h2,20H,1H2.
What are the key properties of 2,2,3,4,4,5,6,6,6-nonafluoro-3-(trifluoromethyl)hexan-1-ol?
2,2,3,4,4,5,6,6,6-nonafluoro-3-(trifluoromethyl)hexan-1-ol has a molecular weight of 332.08 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,4,4,5,6,6,6-nonafluoro-3-(trifluoromethyl)hexan-1-ol is sourced from PubChem (CID 11381976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).