(1R)-1-(2,2-difluoro-3,4-dihydro-1,4-benzoxazin-8-yl)ethanol

C10H11F2NO2 — CID 66926371

IUPAC(1R)-1-(2,2-difluoro-3,4-dihydro-1,4-benzoxazin-8-yl)ethanol
SMILESC[C@@H](O)c1cccc2c1OC(F)(F)CN2
InChIInChI=1S/C10H11F2NO2/c1-6(14)7-3-2-4-8-9(7)15-10(11,12)5-13-8/h2-4,6,13-14H,5H2,1H3/t6-/m1/s1
InChIKeyVBMQDRIFNMPIBA-ZCFIWIBFSA-N
MW215.20 g/mol
LogP2.14
Rot. Bonds1

About (1R)-1-(2,2-difluoro-3,4-dihydro-1,4-benzoxazin-8-yl)ethanol

(1R)-1-(2,2-difluoro-3,4-dihydro-1,4-benzoxazin-8-yl)ethanol (PubChem CID 66926371) has the molecular formula C10H11F2NO2 and a molecular weight of 215.20 g/mol. Its IUPAC name is (1R)-1-(2,2-difluoro-3,4-dihydro-1,4-benzoxazin-8-yl)ethanol.

Molecular Properties

Compound Name(1R)-1-(2,2-difluoro-3,4-dihydro-1,4-benzoxazin-8-yl)ethanol
PubChem CID66926371
Molecular FormulaC10H11F2NO2
Molecular Weight215.20 g/mol
Exact Mass215.08
IUPAC Name(1R)-1-(2,2-difluoro-3,4-dihydro-1,4-benzoxazin-8-yl)ethanol
SMILESC[C@@H](O)c1cccc2c1OC(F)(F)CN2
InChIInChI=1S/C10H11F2NO2/c1-6(14)7-3-2-4-8-9(7)15-10(11,12)5-13-8/h2-4,6,13-14H,5H2,1H3/t6-/m1/s1
InChIKeyVBMQDRIFNMPIBA-ZCFIWIBFSA-N
XLogP2.14
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,2-difluoro-3,4-dihydro-1,4-benzoxazin-8-yl)ethanol?
The IUPAC name of (1R)-1-(2,2-difluoro-3,4-dihydro-1,4-benzoxazin-8-yl)ethanol (CID 66926371) is (1R)-1-(2,2-difluoro-3,4-dihydro-1,4-benzoxazin-8-yl)ethanol.
What is the SMILES notation for (1R)-1-(2,2-difluoro-3,4-dihydro-1,4-benzoxazin-8-yl)ethanol?
The canonical SMILES for (1R)-1-(2,2-difluoro-3,4-dihydro-1,4-benzoxazin-8-yl)ethanol is C[C@@H](O)c1cccc2c1OC(F)(F)CN2.
What is the InChIKey of (1R)-1-(2,2-difluoro-3,4-dihydro-1,4-benzoxazin-8-yl)ethanol?
The InChIKey is VBMQDRIFNMPIBA-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H11F2NO2/c1-6(14)7-3-2-4-8-9(7)15-10(11,12)5-13-8/h2-4,6,13-14H,5H2,1H3/t6-/m1/s1.
What are the key properties of (1R)-1-(2,2-difluoro-3,4-dihydro-1,4-benzoxazin-8-yl)ethanol?
(1R)-1-(2,2-difluoro-3,4-dihydro-1,4-benzoxazin-8-yl)ethanol has a molecular weight of 215.20 g/mol, XLogP of 2.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,2-difluoro-3,4-dihydro-1,4-benzoxazin-8-yl)ethanol is sourced from PubChem (CID 66926371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).