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

C6H3F11O — CID 12554040

IUPAC1,1,1,2,2,5,5,5-octafluoro-4-(trifluoromethyl)pentan-3-ol
SMILESOC(C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F11O/c7-3(8,6(15,16)17)2(18)1(4(9,10)11)5(12,13)14/h1-2,18H
InChIKeySLEXRFCLICZCPF-UHFFFAOYSA-N
MW300.07 g/mol
LogP3.29
Rot. Bonds2

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

1,1,1,2,2,5,5,5-octafluoro-4-(trifluoromethyl)pentan-3-ol (PubChem CID 12554040) has the molecular formula C6H3F11O and a molecular weight of 300.07 g/mol. Its IUPAC name is 1,1,1,2,2,5,5,5-octafluoro-4-(trifluoromethyl)pentan-3-ol.

Molecular Properties

Compound Name1,1,1,2,2,5,5,5-octafluoro-4-(trifluoromethyl)pentan-3-ol
PubChem CID12554040
Molecular FormulaC6H3F11O
Molecular Weight300.07 g/mol
Exact Mass300.00
IUPAC Name1,1,1,2,2,5,5,5-octafluoro-4-(trifluoromethyl)pentan-3-ol
SMILESOC(C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F11O/c7-3(8,6(15,16)17)2(18)1(4(9,10)11)5(12,13)14/h1-2,18H
InChIKeySLEXRFCLICZCPF-UHFFFAOYSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.07
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1,1,1,3,3,4,4,4-octafluorobutan-2-ol
CID 98055023
4-amino-1,1,1,2,2-pentafluoro-5-methylhexan-3-ol
CID 10878705
1,1,1,4,4,5,5,5-octafluoro-2-(trifluoromethyl)pentane-2,3-diol
CID 87879584
2,2,3,3,3-pentafluoro-1-(2,3,4,5,6-pentamethylphenyl)propan-1-ol
CID 63425918
(2S)-1-amino-3,3,4,4,4-pentafluorobutan-2-ol
CID 129368619
bis(1,1,1,3,3,3-hexafluoropropan-2-ol);sulfurous acid
CID 71441894
CID 172837284
CID 172837284
azane;1,1,1-trifluoropropan-2-ol
CID 172812336
1,1,1,2,2,3,3-heptafluoropropane;methane
CID 158693034
1,1,1,2,2,3,3-heptafluoropropane;hydrobromide
CID 175862099
1,1,1,2,2,3,3-heptafluoropropane;hydrochloride
CID 158268992
1,1,1-trifluoro-2-(trifluoromethyl)hex-5-yn-3-ol
CID 103312677

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,5,5,5-octafluoro-4-(trifluoromethyl)pentan-3-ol?
The IUPAC name of 1,1,1,2,2,5,5,5-octafluoro-4-(trifluoromethyl)pentan-3-ol (CID 12554040) is 1,1,1,2,2,5,5,5-octafluoro-4-(trifluoromethyl)pentan-3-ol.
What is the SMILES notation for 1,1,1,2,2,5,5,5-octafluoro-4-(trifluoromethyl)pentan-3-ol?
The canonical SMILES for 1,1,1,2,2,5,5,5-octafluoro-4-(trifluoromethyl)pentan-3-ol is OC(C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,5,5,5-octafluoro-4-(trifluoromethyl)pentan-3-ol?
The InChIKey is SLEXRFCLICZCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F11O/c7-3(8,6(15,16)17)2(18)1(4(9,10)11)5(12,13)14/h1-2,18H.
What are the key properties of 1,1,1,2,2,5,5,5-octafluoro-4-(trifluoromethyl)pentan-3-ol?
1,1,1,2,2,5,5,5-octafluoro-4-(trifluoromethyl)pentan-3-ol has a molecular weight of 300.07 g/mol, XLogP of 3.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,5,5,5-octafluoro-4-(trifluoromethyl)pentan-3-ol is sourced from PubChem (CID 12554040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).