3-(10,10-difluorodecyl)benzene-1,2-diol

C16H24F2O2 — CID 154435751

IUPAC3-(10,10-difluorodecyl)benzene-1,2-diol
SMILESOc1cccc(CCCCCCCCCC(F)F)c1O
InChIInChI=1S/C16H24F2O2/c17-15(18)12-7-5-3-1-2-4-6-9-13-10-8-11-14(19)16(13)20/h8,10-11,15,19-20H,1-7,9,12H2
InChIKeyWGEBDSBRKXBGHE-UHFFFAOYSA-N
MW286.36 g/mol
LogP5.03
Rot. Bonds10

About 3-(10,10-difluorodecyl)benzene-1,2-diol

3-(10,10-difluorodecyl)benzene-1,2-diol (PubChem CID 154435751) has the molecular formula C16H24F2O2 and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-(10,10-difluorodecyl)benzene-1,2-diol.

Molecular Properties

Compound Name3-(10,10-difluorodecyl)benzene-1,2-diol
PubChem CID154435751
Molecular FormulaC16H24F2O2
Molecular Weight286.36 g/mol
Exact Mass286.17
IUPAC Name3-(10,10-difluorodecyl)benzene-1,2-diol
SMILESOc1cccc(CCCCCCCCCC(F)F)c1O
InChIInChI=1S/C16H24F2O2/c17-15(18)12-7-5-3-1-2-4-6-9-13-10-8-11-14(19)16(13)20/h8,10-11,15,19-20H,1-7,9,12H2
InChIKeyWGEBDSBRKXBGHE-UHFFFAOYSA-N
XLogP5.03
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.36
LogP ≤ 55.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

3-(8,8-diiodooctyl)benzene-1,2-diol
CID 154435592
[3-(8,8-difluorooctyl)-2-hydroxyphenyl] hydrogen carbonate
CID 69498855
3-(4-fluorobutyl)benzene-1,2-diol
CID 68899588
3-(8,8-dipropoxyoctyl)benzene-1,2-diol
CID 154435636
3-[8,8-di(nonoxy)octyl]benzene-1,2-diol
CID 154435642
2,6-bis(6-methylheptyl)phenol
CID 14252215
2-(6,6-difluorohexyl)aniline
CID 70016284
acetic acid;3-pentadecylbenzene-1,2-diol
CID 67779350
3-(5,5-difluoropentyl)benzene-1,2-diolate
CID 154435340
3-(5-heptoxypentyl)benzene-1,2-diol
CID 154435375
3-(13-heptoxytridecyl)benzene-1,2-diol
CID 154435835
3-(6-butoxyhexyl)benzene-1,2-diol
CID 154435441

Frequently Asked Questions

What is the IUPAC name of 3-(10,10-difluorodecyl)benzene-1,2-diol?
The IUPAC name of 3-(10,10-difluorodecyl)benzene-1,2-diol (CID 154435751) is 3-(10,10-difluorodecyl)benzene-1,2-diol.
What is the SMILES notation for 3-(10,10-difluorodecyl)benzene-1,2-diol?
The canonical SMILES for 3-(10,10-difluorodecyl)benzene-1,2-diol is Oc1cccc(CCCCCCCCCC(F)F)c1O.
What is the InChIKey of 3-(10,10-difluorodecyl)benzene-1,2-diol?
The InChIKey is WGEBDSBRKXBGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2O2/c17-15(18)12-7-5-3-1-2-4-6-9-13-10-8-11-14(19)16(13)20/h8,10-11,15,19-20H,1-7,9,12H2.
What are the key properties of 3-(10,10-difluorodecyl)benzene-1,2-diol?
3-(10,10-difluorodecyl)benzene-1,2-diol has a molecular weight of 286.36 g/mol, XLogP of 5.03, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(10,10-difluorodecyl)benzene-1,2-diol is sourced from PubChem (CID 154435751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).