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

C7H5F11O — CID 139735073

IUPAC3,3,5,5,5-pentafluoro-2,2-bis(trifluoromethyl)pentan-1-ol
SMILESOCC(C(F)(F)F)(C(F)(F)F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C7H5F11O/c8-4(9,1-5(10,11)12)3(2-19,6(13,14)15)7(16,17)18/h19H,1-2H2
InChIKeyRTSSOKSWNOZVPT-UHFFFAOYSA-N
MW314.09 g/mol
LogP3.68
Rot. Bonds3

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

3,3,5,5,5-pentafluoro-2,2-bis(trifluoromethyl)pentan-1-ol (PubChem CID 139735073) has the molecular formula C7H5F11O and a molecular weight of 314.09 g/mol. Its IUPAC name is 3,3,5,5,5-pentafluoro-2,2-bis(trifluoromethyl)pentan-1-ol.

Molecular Properties

Compound Name3,3,5,5,5-pentafluoro-2,2-bis(trifluoromethyl)pentan-1-ol
PubChem CID139735073
Molecular FormulaC7H5F11O
Molecular Weight314.09 g/mol
Exact Mass314.02
IUPAC Name3,3,5,5,5-pentafluoro-2,2-bis(trifluoromethyl)pentan-1-ol
SMILESOCC(C(F)(F)F)(C(F)(F)F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C7H5F11O/c8-4(9,1-5(10,11)12)3(2-19,6(13,14)15)7(16,17)18/h19H,1-2H2
InChIKeyRTSSOKSWNOZVPT-UHFFFAOYSA-N
XLogP3.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.09
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

bis(2,2,3,3,3-pentafluoropropan-1-ol);zinc
CID 22386022
azane;1,1,1,3,3,3-hexafluoropropane
CID 175100137
CID 158264253
CID 158264253
2-[difluoro-[1,1,2,3,3,5,5,5-octafluoro-2-(trifluoromethyl)pentoxy]methyl]-1,1,1,2,3,3,5,5,5-nonafluoropentane
CID 175373281
carbonic acid;bis(2,2,3,3,3-pentafluoropropan-1-ol)
CID 71351128
bis(1,1,2,2,4,4,4-heptafluorobutoxy)phosphorylmethanol
CID 175360213
1,1,1,4-tetrafluoro-2,2-bis(trifluoromethyl)butane
CID 177246313
1,1,1,3,3,4,4,5,5,7,7-undecafluorooctane
CID 59211713
1,1,1,4,4,4-hexafluoro-2-[1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)butan-2-yl]sulfanyl-2-(trifluoromethyl)butane
CID 87625207
3,3,3-trifluoro-2,2-dimethylpropan-1-ol
CID 59951355
sulfuric acid;2,2,2-trifluoroethanol
CID 172737792
2-methyl-2-(trifluoromethyl)propane-1,3-diol
CID 118400148

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5,5-pentafluoro-2,2-bis(trifluoromethyl)pentan-1-ol?
The IUPAC name of 3,3,5,5,5-pentafluoro-2,2-bis(trifluoromethyl)pentan-1-ol (CID 139735073) is 3,3,5,5,5-pentafluoro-2,2-bis(trifluoromethyl)pentan-1-ol.
What is the SMILES notation for 3,3,5,5,5-pentafluoro-2,2-bis(trifluoromethyl)pentan-1-ol?
The canonical SMILES for 3,3,5,5,5-pentafluoro-2,2-bis(trifluoromethyl)pentan-1-ol is OCC(C(F)(F)F)(C(F)(F)F)C(F)(F)CC(F)(F)F.
What is the InChIKey of 3,3,5,5,5-pentafluoro-2,2-bis(trifluoromethyl)pentan-1-ol?
The InChIKey is RTSSOKSWNOZVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F11O/c8-4(9,1-5(10,11)12)3(2-19,6(13,14)15)7(16,17)18/h19H,1-2H2.
What are the key properties of 3,3,5,5,5-pentafluoro-2,2-bis(trifluoromethyl)pentan-1-ol?
3,3,5,5,5-pentafluoro-2,2-bis(trifluoromethyl)pentan-1-ol has a molecular weight of 314.09 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5,5-pentafluoro-2,2-bis(trifluoromethyl)pentan-1-ol is sourced from PubChem (CID 139735073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).