2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctan-1-ol

C8H4F14O — CID 2776291

IUPAC2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctan-1-ol
SMILESOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C8H4F14O/c9-2(10)4(13,14)6(17,18)8(21,22)7(19,20)5(15,16)3(11,12)1-23/h2,23H,1H2
InChIKeyISIIJJQHILZBPB-UHFFFAOYSA-N
MW382.09 g/mol
LogP4.06
Rot. Bonds7

About 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctan-1-ol

2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctan-1-ol (PubChem CID 2776291) has the molecular formula C8H4F14O and a molecular weight of 382.09 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctan-1-ol.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctan-1-ol
PubChem CID2776291
Molecular FormulaC8H4F14O
Molecular Weight382.09 g/mol
Exact Mass382.00
IUPAC Name2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctan-1-ol
SMILESOCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C8H4F14O/c9-2(10)4(13,14)6(17,18)8(21,22)7(19,20)5(15,16)3(11,12)1-23/h2,23H,1H2
InChIKeyISIIJJQHILZBPB-UHFFFAOYSA-N
XLogP4.06
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.09
LogP ≤ 54.06
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

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CID 10816307
bis(2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl)-trihydroxy-λ5-phosphane
CID 87827924
5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12-hexadecafluorododecane-1,2-diol
CID 139989478
CID 16557800
CID 16557800
1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-henicosafluoroundecan-1-ol
CID 87824444
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13-hexacosafluorotridecan-1-ol
CID 118339748
bis(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl) carbonate
CID 99769617
N-(3,3,4,4,5,5,6,6,7,7-decafluoroheptyl)-N,3,3,4,4,5,5,6,6,7,7-undecafluoroheptan-1-amine
CID 172565059
2,2,3,3,4,4,5,5,7,8,8,8-dodecafluoro-7-(trifluoromethyl)octane-1,6-diol
CID 12933465
2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14-hexacosafluorotetradecyl(trimethyl)azanium
CID 163324373
N-(4,4,5,5,6,6,7,7,8,8,9,9-dodecafluorononyl)-4,4,5,5,6,6,7,7,8,8,9,9-dodecafluoro-N-methylnonan-1-amine
CID 170096057

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctan-1-ol?
The IUPAC name of 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctan-1-ol (CID 2776291) is 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctan-1-ol.
What is the SMILES notation for 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctan-1-ol?
The canonical SMILES for 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctan-1-ol is OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctan-1-ol?
The InChIKey is ISIIJJQHILZBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F14O/c9-2(10)4(13,14)6(17,18)8(21,22)7(19,20)5(15,16)3(11,12)1-23/h2,23H,1H2.
What are the key properties of 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctan-1-ol?
2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctan-1-ol has a molecular weight of 382.09 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctan-1-ol is sourced from PubChem (CID 2776291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).