2-(1,1,2,2,2-pentafluoroethyl)-2H-chromen-3-ol

C11H7F5O2 — CID 18755186

IUPAC2-(1,1,2,2,2-pentafluoroethyl)-2H-chromen-3-ol
SMILESOC1=Cc2ccccc2OC1C(F)(F)C(F)(F)F
InChIInChI=1S/C11H7F5O2/c12-10(13,11(14,15)16)9-7(17)5-6-3-1-2-4-8(6)18-9/h1-5,9,17H
InChIKeyNOTQEAQJBHVZHU-UHFFFAOYSA-N
MW266.17 g/mol
LogP3.54
Rot. Bonds1

About 2-(1,1,2,2,2-pentafluoroethyl)-2H-chromen-3-ol

2-(1,1,2,2,2-pentafluoroethyl)-2H-chromen-3-ol (PubChem CID 18755186) has the molecular formula C11H7F5O2 and a molecular weight of 266.17 g/mol. Its IUPAC name is 2-(1,1,2,2,2-pentafluoroethyl)-2H-chromen-3-ol.

Molecular Properties

Compound Name2-(1,1,2,2,2-pentafluoroethyl)-2H-chromen-3-ol
PubChem CID18755186
Molecular FormulaC11H7F5O2
Molecular Weight266.17 g/mol
Exact Mass266.04
IUPAC Name2-(1,1,2,2,2-pentafluoroethyl)-2H-chromen-3-ol
SMILESOC1=Cc2ccccc2OC1C(F)(F)C(F)(F)F
InChIInChI=1S/C11H7F5O2/c12-10(13,11(14,15)16)9-7(17)5-6-3-1-2-4-8(6)18-9/h1-5,9,17H
InChIKeyNOTQEAQJBHVZHU-UHFFFAOYSA-N
XLogP3.54
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-2H-chromen-3-ol
CID 174296888
N,N-dimethyl-2-(trifluoromethyl)-2H-chromene-3-carboxamide
CID 126840431
[2-(trifluoromethyl)-2H-chromen-3-yl] hydrogen carbonate
CID 70002712
2H-1,2-benzoxazin-3-ol
CID 22992156
1-(2H-chromen-2-yl)-1,1,3,3,3-pentafluoropropan-2-one
CID 154585851
(2S)-2-[4-(trifluoromethyl)phenyl]-2H-chromene
CID 118487630
2H-chromene-2-thiol
CID 154323304
1-fluoro-1H-inden-2-ol
CID 174381706
2-amino-2H-chromene-3-carbothioamide
CID 154220256
ethane;2-methyl-2H-chromene-3-carboxylic acid
CID 91304303
3-[(E)-prop-1-enyl]-2H-chromen-2-ol
CID 146369233
2-[6-(2H-chromen-2-yl)hexyl]-2H-chromene
CID 86009822

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,2-pentafluoroethyl)-2H-chromen-3-ol?
The IUPAC name of 2-(1,1,2,2,2-pentafluoroethyl)-2H-chromen-3-ol (CID 18755186) is 2-(1,1,2,2,2-pentafluoroethyl)-2H-chromen-3-ol.
What is the SMILES notation for 2-(1,1,2,2,2-pentafluoroethyl)-2H-chromen-3-ol?
The canonical SMILES for 2-(1,1,2,2,2-pentafluoroethyl)-2H-chromen-3-ol is OC1=Cc2ccccc2OC1C(F)(F)C(F)(F)F.
What is the InChIKey of 2-(1,1,2,2,2-pentafluoroethyl)-2H-chromen-3-ol?
The InChIKey is NOTQEAQJBHVZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F5O2/c12-10(13,11(14,15)16)9-7(17)5-6-3-1-2-4-8(6)18-9/h1-5,9,17H.
What are the key properties of 2-(1,1,2,2,2-pentafluoroethyl)-2H-chromen-3-ol?
2-(1,1,2,2,2-pentafluoroethyl)-2H-chromen-3-ol has a molecular weight of 266.17 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,2-pentafluoroethyl)-2H-chromen-3-ol is sourced from PubChem (CID 18755186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).