11,11-difluoro-11-(2,3,4,5,6-pentafluorophenyl)undecan-1-ol

C17H21F7O — CID 101403635

IUPAC11,11-difluoro-11-(2,3,4,5,6-pentafluorophenyl)undecan-1-ol
SMILESOCCCCCCCCCCC(F)(F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C17H21F7O/c18-12-11(13(19)15(21)16(22)14(12)20)17(23,24)9-7-5-3-1-2-4-6-8-10-25/h25H,1-10H2
InChIKeyQJNNCDCLBVNONB-UHFFFAOYSA-N
MW374.34 g/mol
LogP5.98
Rot. Bonds11

About 11,11-difluoro-11-(2,3,4,5,6-pentafluorophenyl)undecan-1-ol

11,11-difluoro-11-(2,3,4,5,6-pentafluorophenyl)undecan-1-ol (PubChem CID 101403635) has the molecular formula C17H21F7O and a molecular weight of 374.34 g/mol. Its IUPAC name is 11,11-difluoro-11-(2,3,4,5,6-pentafluorophenyl)undecan-1-ol.

Molecular Properties

Compound Name11,11-difluoro-11-(2,3,4,5,6-pentafluorophenyl)undecan-1-ol
PubChem CID101403635
Molecular FormulaC17H21F7O
Molecular Weight374.34 g/mol
Exact Mass374.15
IUPAC Name11,11-difluoro-11-(2,3,4,5,6-pentafluorophenyl)undecan-1-ol
SMILESOCCCCCCCCCCC(F)(F)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C17H21F7O/c18-12-11(13(19)15(21)16(22)14(12)20)17(23,24)9-7-5-3-1-2-4-6-8-10-25/h25H,1-10H2
InChIKeyQJNNCDCLBVNONB-UHFFFAOYSA-N
XLogP5.98
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.34
LogP ≤ 55.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 11,11-difluoro-11-(2,3,4,5,6-pentafluorophenyl)undecan-1-ol?
The IUPAC name of 11,11-difluoro-11-(2,3,4,5,6-pentafluorophenyl)undecan-1-ol (CID 101403635) is 11,11-difluoro-11-(2,3,4,5,6-pentafluorophenyl)undecan-1-ol.
What is the SMILES notation for 11,11-difluoro-11-(2,3,4,5,6-pentafluorophenyl)undecan-1-ol?
The canonical SMILES for 11,11-difluoro-11-(2,3,4,5,6-pentafluorophenyl)undecan-1-ol is OCCCCCCCCCCC(F)(F)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of 11,11-difluoro-11-(2,3,4,5,6-pentafluorophenyl)undecan-1-ol?
The InChIKey is QJNNCDCLBVNONB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F7O/c18-12-11(13(19)15(21)16(22)14(12)20)17(23,24)9-7-5-3-1-2-4-6-8-10-25/h25H,1-10H2.
What are the key properties of 11,11-difluoro-11-(2,3,4,5,6-pentafluorophenyl)undecan-1-ol?
11,11-difluoro-11-(2,3,4,5,6-pentafluorophenyl)undecan-1-ol has a molecular weight of 374.34 g/mol, XLogP of 5.98, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-difluoro-11-(2,3,4,5,6-pentafluorophenyl)undecan-1-ol is sourced from PubChem (CID 101403635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).