2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentan-1-ol

C7H4F12O — CID 2782564

IUPAC2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentan-1-ol
SMILESOCC(F)(C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H4F12O/c8-2(3(9,1-20)5(11,12)13)4(10,6(14,15)16)7(17,18)19/h2,20H,1H2
InChIKeyPCGUNVYNJIFBQT-UHFFFAOYSA-N
MW332.08 g/mol
LogP3.42
Rot. Bonds3

About 2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentan-1-ol

2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentan-1-ol (PubChem CID 2782564) has the molecular formula C7H4F12O and a molecular weight of 332.08 g/mol. Its IUPAC name is 2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentan-1-ol.

Molecular Properties

Compound Name2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentan-1-ol
PubChem CID2782564
Molecular FormulaC7H4F12O
Molecular Weight332.08 g/mol
Exact Mass332.01
IUPAC Name2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentan-1-ol
SMILESOCC(F)(C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H4F12O/c8-2(3(9,1-20)5(11,12)13)4(10,6(14,15)16)7(17,18)19/h2,20H,1H2
InChIKeyPCGUNVYNJIFBQT-UHFFFAOYSA-N
XLogP3.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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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Related Compounds

2,2,3,3,4,4,5,5-Octafluoro-1-pentanol
CID 9641
4,4,5,5,5-Pentafluoropentan-1-ol
CID 547967
3,3,4,4,5,5,5-Heptafluoropentan-1-ol
CID 2782534
2,2,3,3-Tetrafluorocyclobutanemethanol
CID 101666
3,3,4,4,5,6,6,6-Octafluoro-5-(trifluoromethyl)hexan-1-ol
CID 2776218
1H,1H-Nonafluoropentan-1-ol
CID 2782394
3-(Perfluoroisopropyl)propanol
CID 542739
4,5,5,5-Tetrafluoro-2-iodo-4-(trifluoromethyl)pentan-1-ol
CID 2782601
2(Perfluoro-2-propyl)ethanol
CID 2782615
2,2,3,4,4,4-Hexafluoro-3-(trifluoromethyl)butan-1-ol
CID 44717703
4,4,5,5-Tetrafluoropentan-1-ol
CID 54145160
4,5,5,5-Tetrafluoropentan-1-ol
CID 155546328

Frequently Asked Questions

What is the IUPAC name of 2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentan-1-ol?
The IUPAC name of 2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentan-1-ol (CID 2782564) is 2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentan-1-ol.
What is the SMILES notation for 2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentan-1-ol?
The canonical SMILES for 2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentan-1-ol is OCC(F)(C(F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentan-1-ol?
The InChIKey is PCGUNVYNJIFBQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F12O/c8-2(3(9,1-20)5(11,12)13)4(10,6(14,15)16)7(17,18)19/h2,20H,1H2.
What are the key properties of 2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentan-1-ol?
2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentan-1-ol has a molecular weight of 332.08 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,5,5,5-hexafluoro-2,4-bis(trifluoromethyl)pentan-1-ol is sourced from PubChem (CID 2782564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).