(4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone

C12H14FNO2 — CID 62060048

IUPAC(4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCCOCC1
InChIInChI=1S/C12H14FNO2/c13-11-4-2-10(3-5-11)12(15)14-6-1-8-16-9-7-14/h2-5H,1,6-9H2
InChIKeyFJECEHQHZXWVAM-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.69
Rot. Bonds1

About (4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone

(4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone (PubChem CID 62060048) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is (4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone
PubChem CID62060048
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name(4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCCOCC1
InChIInChI=1S/C12H14FNO2/c13-11-4-2-10(3-5-11)12(15)14-6-1-8-16-9-7-14/h2-5H,1,6-9H2
InChIKeyFJECEHQHZXWVAM-UHFFFAOYSA-N
XLogP1.69
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(6-fluoro-3-pyridinyl)-(1,4-oxazepan-4-yl)methanone
CID 63979575
[4-(chloromethyl)phenyl]-(1,4-oxazepan-4-yl)methanone
CID 62986957
4-(4-fluorobenzoyl)-1,4-diazepane-1-carboxylic acid
CID 67493364
1-(4-fluorophenyl)-2-morpholin-4-ylethane-1,2-dione
CID 82116829
2-cyclopentyl-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-morpholin-4-ylethanone
CID 42842288
(4-fluorophenyl)-[4-(oxan-4-ylmethyl)-1,4-diazepan-1-yl]methanone
CID 126774093
lithium 4-(morpholine-4-carbonyl)benzoate
CID 142428468
(4-fluorophenyl)-[(3R)-3-[3-(morpholine-4-carbonyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95840496
4-(morpholine-4-carbonyl)benzenesulfonyl fluoride
CID 165461287
(4-fluorophenyl)-[4-(1-methylpyrrole-3-carbonyl)-1,4-diazepan-1-yl]methanone
CID 110808133
[(2R)-2-(aminomethyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 42252437
(3-amino-4-methylphenyl)-(1,4-oxazepan-4-yl)methanone
CID 55151996

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone (CID 62060048) is (4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone is O=C(c1ccc(F)cc1)N1CCCOCC1.
What is the InChIKey of (4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone?
The InChIKey is FJECEHQHZXWVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-11-4-2-10(3-5-11)12(15)14-6-1-8-16-9-7-14/h2-5H,1,6-9H2.
What are the key properties of (4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone?
(4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone has a molecular weight of 223.25 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(1,4-oxazepan-4-yl)methanone is sourced from PubChem (CID 62060048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).