(7-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol

C9H10FNO2 — CID 68554157

IUPAC(7-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol
SMILESOCC1COc2cc(F)ccc2N1
InChIInChI=1S/C9H10FNO2/c10-6-1-2-8-9(3-6)13-5-7(4-12)11-8/h1-3,7,11-12H,4-5H2
InChIKeyOZBVEQRBCNXKHK-UHFFFAOYSA-N
MW183.18 g/mol
LogP0.99
Rot. Bonds1

About (7-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol

(7-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol (PubChem CID 68554157) has the molecular formula C9H10FNO2 and a molecular weight of 183.18 g/mol. Its IUPAC name is (7-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol.

Molecular Properties

Compound Name(7-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol
PubChem CID68554157
Molecular FormulaC9H10FNO2
Molecular Weight183.18 g/mol
Exact Mass183.07
IUPAC Name(7-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol
SMILESOCC1COc2cc(F)ccc2N1
InChIInChI=1S/C9H10FNO2/c10-6-1-2-8-9(3-6)13-5-7(4-12)11-8/h1-3,7,11-12H,4-5H2
InChIKeyOZBVEQRBCNXKHK-UHFFFAOYSA-N
XLogP0.99
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.18
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methyl-3,4-dihydro-2H-1,4-benzoxazine
CID 2763760
1-(2-Ethoxyphenyl)piperazine
CID 83357
Phenoxazine
CID 67278
3,4-Dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 26120
Hydroxybenzomorpholine
CID 117709
1-[2-(Propan-2-yloxy)phenyl]piperazine
CID 10944016
6-Fluoro-2H-1,4-benzoxazin-3(4H)-one
CID 302897
1-(2-Butoxyphenyl)piperazine
CID 14479837
2-((2-Methoxyphenyl)amino)ethanol
CID 76238
(3,4-Dihydro-2H-1,4-benzoxazin-3-yl)methanol
CID 21824043
7-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-one
CID 13731295
1-(2-(4-Fluorophenoxy)phenyl)piperazine
CID 45483431

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol?
The IUPAC name of (7-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol (CID 68554157) is (7-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol.
What is the SMILES notation for (7-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol?
The canonical SMILES for (7-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol is OCC1COc2cc(F)ccc2N1.
What is the InChIKey of (7-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol?
The InChIKey is OZBVEQRBCNXKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO2/c10-6-1-2-8-9(3-6)13-5-7(4-12)11-8/h1-3,7,11-12H,4-5H2.
What are the key properties of (7-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol?
(7-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol has a molecular weight of 183.18 g/mol, XLogP of 0.99, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-3,4-dihydro-2H-1,4-benzoxazin-3-yl)methanol is sourced from PubChem (CID 68554157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).