1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol

C11H14FNO2 — CID 117236074

IUPAC1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol
SMILESCC(O)CN1CCOc2ccc(F)cc21
InChIInChI=1S/C11H14FNO2/c1-8(14)7-13-4-5-15-11-3-2-9(12)6-10(11)13/h2-3,6,8,14H,4-5,7H2,1H3
InChIKeyGWJIQRKIWXNUSE-UHFFFAOYSA-N
MW211.24 g/mol
LogP1.41
Rot. Bonds2

About 1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol

1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol (PubChem CID 117236074) has the molecular formula C11H14FNO2 and a molecular weight of 211.24 g/mol. Its IUPAC name is 1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol.

Molecular Properties

Compound Name1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol
PubChem CID117236074
Molecular FormulaC11H14FNO2
Molecular Weight211.24 g/mol
Exact Mass211.10
IUPAC Name1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol
SMILESCC(O)CN1CCOc2ccc(F)cc21
InChIInChI=1S/C11H14FNO2/c1-8(14)7-13-4-5-15-11-3-2-9(12)6-10(11)13/h2-3,6,8,14H,4-5,7H2,1H3
InChIKeyGWJIQRKIWXNUSE-UHFFFAOYSA-N
XLogP1.41
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(6-methoxy-2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol
CID 117236081
4-ethyl-6-fluoro-2,3-dihydro-1,4-benzoxazine
CID 89030466
1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-1-one
CID 110639273
ethane;6-fluoro-4-methyl-2,3-dihydro-1,4-benzoxazine
CID 145415820
2-ethyl-1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)butan-1-one
CID 110639282
6-fluoro-2,3-dihydro-1,4-benzoxazine-4-carboxylic acid
CID 91461591
4-amino-1-[4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]butan-1-ol
CID 82340098
2-chloro-1-[4-(2-methylpropyl)-2,3-dihydro-1,4-benzoxazin-6-yl]ethanone
CID 82340103
2-(2,3-dihydro-1,4-benzoxazin-4-yl)-1-(2-fluorophenyl)ethanol
CID 110888195
N-[(2R)-butan-2-yl]-7-fluoro-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 129349492
(2R)-2-chloro-1-(7-fluoro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)propan-1-one
CID 129495142
3-amino-1-(4-ethyl-2,3-dihydro-1,4-benzoxazin-6-yl)propan-1-ol
CID 82340030

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol?
The IUPAC name of 1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol (CID 117236074) is 1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol.
What is the SMILES notation for 1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol?
The canonical SMILES for 1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol is CC(O)CN1CCOc2ccc(F)cc21.
What is the InChIKey of 1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol?
The InChIKey is GWJIQRKIWXNUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO2/c1-8(14)7-13-4-5-15-11-3-2-9(12)6-10(11)13/h2-3,6,8,14H,4-5,7H2,1H3.
What are the key properties of 1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol?
1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol has a molecular weight of 211.24 g/mol, XLogP of 1.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-2,3-dihydro-1,4-benzoxazin-4-yl)propan-2-ol is sourced from PubChem (CID 117236074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).