2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanol

C13H17FO2 — CID 82080641

IUPAC2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanol
SMILESCC1(C)CC(CCO)c2cc(F)ccc2O1
InChIInChI=1S/C13H17FO2/c1-13(2)8-9(5-6-15)11-7-10(14)3-4-12(11)16-13/h3-4,7,9,15H,5-6,8H2,1-2H3
InChIKeyAXGUBXCJMFMWLO-UHFFFAOYSA-N
MW224.27 g/mol
LogP2.85
Rot. Bonds2

About 2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanol

2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanol (PubChem CID 82080641) has the molecular formula C13H17FO2 and a molecular weight of 224.27 g/mol. Its IUPAC name is 2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanol.

Molecular Properties

Compound Name2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanol
PubChem CID82080641
Molecular FormulaC13H17FO2
Molecular Weight224.27 g/mol
Exact Mass224.12
IUPAC Name2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanol
SMILESCC1(C)CC(CCO)c2cc(F)ccc2O1
InChIInChI=1S/C13H17FO2/c1-13(2)8-9(5-6-15)11-7-10(14)3-4-12(11)16-13/h3-4,7,9,15H,5-6,8H2,1-2H3
InChIKeyAXGUBXCJMFMWLO-UHFFFAOYSA-N
XLogP2.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 10888842
4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene
CID 165409857
ethane;4-ethyl-7-fluoro-2,2-dimethyl-3,4-dihydrochromene
CID 165409856
(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl) acetate
CID 174747498
6-fluoro-N-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-amine
CID 81481079
2-(6-tert-butyl-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanamine
CID 82090619
2-ethyl-6-fluoro-2-methyl-3,4-dihydrochromen-4-ol
CID 114714151
2-(6-fluorospiro[3,4-dihydrochromene-2,1'-cyclopentane]-4-yl)ethanamine
CID 82087172
2-(2,2-dimethyl-6-propan-2-yl-3,4-dihydrochromen-4-yl)ethanamine
CID 82086635
2-(6-fluoro-3-methyl-2,3-dihydro-1H-inden-1-yl)ethanol
CID 82075944
(4S)-2,2-dimethyl-4-propyl-3,4-dihydrochromene
CID 163222504
6-fluoro-2-methyl-2-(2-methylpropyl)-3,4-dihydrochromen-4-amine
CID 114708664

Frequently Asked Questions

What is the IUPAC name of 2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanol?
The IUPAC name of 2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanol (CID 82080641) is 2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanol.
What is the SMILES notation for 2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanol?
The canonical SMILES for 2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanol is CC1(C)CC(CCO)c2cc(F)ccc2O1.
What is the InChIKey of 2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanol?
The InChIKey is AXGUBXCJMFMWLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FO2/c1-13(2)8-9(5-6-15)11-7-10(14)3-4-12(11)16-13/h3-4,7,9,15H,5-6,8H2,1-2H3.
What are the key properties of 2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanol?
2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanol has a molecular weight of 224.27 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-yl)ethanol is sourced from PubChem (CID 82080641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).