(3-fluoro-4-morpholin-4-ylphenyl)-phenylmethanone

C17H16FNO2 — CID 683332

IUPAC(3-fluoro-4-morpholin-4-ylphenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C17H16FNO2/c18-15-12-14(17(20)13-4-2-1-3-5-13)6-7-16(15)19-8-10-21-11-9-19/h1-7,12H,8-11H2
InChIKeyLLBSCKLLNQMQAW-UHFFFAOYSA-N
MW285.32 g/mol
LogP2.89
Rot. Bonds3

About (3-fluoro-4-morpholin-4-ylphenyl)-phenylmethanone

(3-fluoro-4-morpholin-4-ylphenyl)-phenylmethanone (PubChem CID 683332) has the molecular formula C17H16FNO2 and a molecular weight of 285.32 g/mol. Its IUPAC name is (3-fluoro-4-morpholin-4-ylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(3-fluoro-4-morpholin-4-ylphenyl)-phenylmethanone
PubChem CID683332
Molecular FormulaC17H16FNO2
Molecular Weight285.32 g/mol
Exact Mass285.12
IUPAC Name(3-fluoro-4-morpholin-4-ylphenyl)-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(N2CCOCC2)c(F)c1
InChIInChI=1S/C17H16FNO2/c18-15-12-14(17(20)13-4-2-1-3-5-13)6-7-16(15)19-8-10-21-11-9-19/h1-7,12H,8-11H2
InChIKeyLLBSCKLLNQMQAW-UHFFFAOYSA-N
XLogP2.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-morpholin-4-ylphenyl)-phenylmethanone?
The IUPAC name of (3-fluoro-4-morpholin-4-ylphenyl)-phenylmethanone (CID 683332) is (3-fluoro-4-morpholin-4-ylphenyl)-phenylmethanone.
What is the SMILES notation for (3-fluoro-4-morpholin-4-ylphenyl)-phenylmethanone?
The canonical SMILES for (3-fluoro-4-morpholin-4-ylphenyl)-phenylmethanone is O=C(c1ccccc1)c1ccc(N2CCOCC2)c(F)c1.
What is the InChIKey of (3-fluoro-4-morpholin-4-ylphenyl)-phenylmethanone?
The InChIKey is LLBSCKLLNQMQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO2/c18-15-12-14(17(20)13-4-2-1-3-5-13)6-7-16(15)19-8-10-21-11-9-19/h1-7,12H,8-11H2.
What are the key properties of (3-fluoro-4-morpholin-4-ylphenyl)-phenylmethanone?
(3-fluoro-4-morpholin-4-ylphenyl)-phenylmethanone has a molecular weight of 285.32 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-morpholin-4-ylphenyl)-phenylmethanone is sourced from PubChem (CID 683332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).