trifluoromethanol;1,1,1,2,2,3,3,4,4,5,5-undecafluoropentane

C6H2F14O — CID 174966166

IUPACtrifluoromethanol;1,1,1,2,2,3,3,4,4,5,5-undecafluoropentane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.OC(F)(F)F
InChIInChI=1S/C5HF11.CHF3O/c6-1(7)2(8,9)3(10,11)4(12,13)5(14,15)16;2-1(3,4)5/h1H;5H
InChIKeyCOCIQLVNXMTPCQ-UHFFFAOYSA-N
MW356.05 g/mol
LogP4.22
Rot. Bonds3

About trifluoromethanol;1,1,1,2,2,3,3,4,4,5,5-undecafluoropentane

trifluoromethanol;1,1,1,2,2,3,3,4,4,5,5-undecafluoropentane (PubChem CID 174966166) has the molecular formula C6H2F14O and a molecular weight of 356.05 g/mol. Its IUPAC name is trifluoromethanol;1,1,1,2,2,3,3,4,4,5,5-undecafluoropentane.

Molecular Properties

Compound Nametrifluoromethanol;1,1,1,2,2,3,3,4,4,5,5-undecafluoropentane
PubChem CID174966166
Molecular FormulaC6H2F14O
Molecular Weight356.05 g/mol
Exact Mass355.99
IUPAC Nametrifluoromethanol;1,1,1,2,2,3,3,4,4,5,5-undecafluoropentane
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.OC(F)(F)F
InChIInChI=1S/C5HF11.CHF3O/c6-1(7)2(8,9)3(10,11)4(12,13)5(14,15)16;2-1(3,4)5/h1H;5H
InChIKeyCOCIQLVNXMTPCQ-UHFFFAOYSA-N
XLogP4.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.05
LogP ≤ 54.22
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

sodium;hydride;1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorohexane
CID 173105318
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
1,1,2,2,3,4,4,5,5,6,7,7,8,8,9,9,10,10,10-nonadecafluorodecane-3,6-diol
CID 174974760
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
1,1,2,2,3,3,4,4,5,5,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,14-octacosafluorotetradecan-1-ol
CID 91384893
1,1,2,2,3,4,4,5,5,6,6,7,7,8,8,8-hexadecafluorooctan-1-ol
CID 174363014
2,2,3,3,4,4,5,5,6,6-decafluoro-1-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]hexan-1-ol
CID 139797312
1,1,3,3,4,4,5,5,6,6,7,7,8,8,8-pentadecafluorooctane-1,2-diol
CID 54146634
1,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,12-tricosafluorododecan-1-ol
CID 175326600
2,2,3,3,4,4,5,5,6,6,7,7,8,8-tetradecafluorooctan-1-ol
CID 2776291
4,4-bis(difluoromethyl)-1,1,1,2,2,3,3,5,5-nonafluoropentane
CID 140534073
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-octadecafluorodecane
CID 22735005

Frequently Asked Questions

What is the IUPAC name of trifluoromethanol;1,1,1,2,2,3,3,4,4,5,5-undecafluoropentane?
The IUPAC name of trifluoromethanol;1,1,1,2,2,3,3,4,4,5,5-undecafluoropentane (CID 174966166) is trifluoromethanol;1,1,1,2,2,3,3,4,4,5,5-undecafluoropentane.
What is the SMILES notation for trifluoromethanol;1,1,1,2,2,3,3,4,4,5,5-undecafluoropentane?
The canonical SMILES for trifluoromethanol;1,1,1,2,2,3,3,4,4,5,5-undecafluoropentane is FC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.OC(F)(F)F.
What is the InChIKey of trifluoromethanol;1,1,1,2,2,3,3,4,4,5,5-undecafluoropentane?
The InChIKey is COCIQLVNXMTPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF11.CHF3O/c6-1(7)2(8,9)3(10,11)4(12,13)5(14,15)16;2-1(3,4)5/h1H;5H.
What are the key properties of trifluoromethanol;1,1,1,2,2,3,3,4,4,5,5-undecafluoropentane?
trifluoromethanol;1,1,1,2,2,3,3,4,4,5,5-undecafluoropentane has a molecular weight of 356.05 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trifluoromethanol;1,1,1,2,2,3,3,4,4,5,5-undecafluoropentane is sourced from PubChem (CID 174966166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).