4-(2-fluoroethyl)-8-methoxy-6-propan-2-yl-1,4-benzoxazin-3-one

C14H18FNO3 — CID 59511889

IUPAC4-(2-fluoroethyl)-8-methoxy-6-propan-2-yl-1,4-benzoxazin-3-one
SMILESCOc1cc(C(C)C)cc2c1OCC(=O)N2CCF
InChIInChI=1S/C14H18FNO3/c1-9(2)10-6-11-14(12(7-10)18-3)19-8-13(17)16(11)5-4-15/h6-7,9H,4-5,8H2,1-3H3
InChIKeyOOXMJEGNHADSRN-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.51
Rot. Bonds4

About 4-(2-fluoroethyl)-8-methoxy-6-propan-2-yl-1,4-benzoxazin-3-one

4-(2-fluoroethyl)-8-methoxy-6-propan-2-yl-1,4-benzoxazin-3-one (PubChem CID 59511889) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is 4-(2-fluoroethyl)-8-methoxy-6-propan-2-yl-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name4-(2-fluoroethyl)-8-methoxy-6-propan-2-yl-1,4-benzoxazin-3-one
PubChem CID59511889
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Name4-(2-fluoroethyl)-8-methoxy-6-propan-2-yl-1,4-benzoxazin-3-one
SMILESCOc1cc(C(C)C)cc2c1OCC(=O)N2CCF
InChIInChI=1S/C14H18FNO3/c1-9(2)10-6-11-14(12(7-10)18-3)19-8-13(17)16(11)5-4-15/h6-7,9H,4-5,8H2,1-3H3
InChIKeyOOXMJEGNHADSRN-UHFFFAOYSA-N
XLogP2.51
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoroethyl)-8-methoxy-6-propan-2-yl-1,4-benzoxazin-3-one?
The IUPAC name of 4-(2-fluoroethyl)-8-methoxy-6-propan-2-yl-1,4-benzoxazin-3-one (CID 59511889) is 4-(2-fluoroethyl)-8-methoxy-6-propan-2-yl-1,4-benzoxazin-3-one.
What is the SMILES notation for 4-(2-fluoroethyl)-8-methoxy-6-propan-2-yl-1,4-benzoxazin-3-one?
The canonical SMILES for 4-(2-fluoroethyl)-8-methoxy-6-propan-2-yl-1,4-benzoxazin-3-one is COc1cc(C(C)C)cc2c1OCC(=O)N2CCF.
What is the InChIKey of 4-(2-fluoroethyl)-8-methoxy-6-propan-2-yl-1,4-benzoxazin-3-one?
The InChIKey is OOXMJEGNHADSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-9(2)10-6-11-14(12(7-10)18-3)19-8-13(17)16(11)5-4-15/h6-7,9H,4-5,8H2,1-3H3.
What are the key properties of 4-(2-fluoroethyl)-8-methoxy-6-propan-2-yl-1,4-benzoxazin-3-one?
4-(2-fluoroethyl)-8-methoxy-6-propan-2-yl-1,4-benzoxazin-3-one has a molecular weight of 267.30 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoroethyl)-8-methoxy-6-propan-2-yl-1,4-benzoxazin-3-one is sourced from PubChem (CID 59511889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).