[(2S)-2-(fluoromethyl)morpholin-4-yl]-phenylmethanone

C12H14FNO2 — CID 129348847

IUPAC[(2S)-2-(fluoromethyl)morpholin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCO[C@H](CF)C1
InChIInChI=1S/C12H14FNO2/c13-8-11-9-14(6-7-16-11)12(15)10-4-2-1-3-5-10/h1-5,11H,6-9H2/t11-/m1/s1
InChIKeyGCJVETCFFUPAQF-LLVKDONJSA-N
MW223.25 g/mol
LogP1.50
Rot. Bonds2

About [(2S)-2-(fluoromethyl)morpholin-4-yl]-phenylmethanone

[(2S)-2-(fluoromethyl)morpholin-4-yl]-phenylmethanone (PubChem CID 129348847) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is [(2S)-2-(fluoromethyl)morpholin-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[(2S)-2-(fluoromethyl)morpholin-4-yl]-phenylmethanone
PubChem CID129348847
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name[(2S)-2-(fluoromethyl)morpholin-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1CCO[C@H](CF)C1
InChIInChI=1S/C12H14FNO2/c13-8-11-9-14(6-7-16-11)12(15)10-4-2-1-3-5-10/h1-5,11H,6-9H2/t11-/m1/s1
InChIKeyGCJVETCFFUPAQF-LLVKDONJSA-N
XLogP1.50
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(2R)-2-(fluoromethyl)morpholin-4-yl]-thiophen-3-ylmethanone
CID 129348850
[2-[(4-fluorophenoxy)methyl]morpholin-4-yl]-phenylmethanone
CID 46041108
3-(2-ethylmorpholine-4-carbonyl)benzoic acid
CID 43563067
(2-ethylmorpholin-4-yl)-(4-sulfanylphenyl)methanone
CID 107023047
[(2R)-2-(aminomethyl)morpholin-4-yl]-(4-fluorophenyl)methanone
CID 42252437
(3-fluorophenyl)-[(2R)-2-(phenoxymethyl)morpholin-4-yl]methanone
CID 93327921
[2-(1,3-benzodioxol-5-yloxymethyl)morpholin-4-yl]-phenylmethanone
CID 46156758
2-[4-(4-fluoronaphthalene-2-carbonyl)morpholin-2-yl]acetic acid
CID 167893929
N-[4-[2-(2-phenylethyl)morpholine-4-carbonyl]phenyl]formamide
CID 86790082
[2-(bromomethyl)morpholin-4-yl]-(4-chlorophenyl)methanone
CID 81211077
2-[4-(4-amino-3-fluorobenzoyl)morpholin-2-yl]acetic acid
CID 66434587
(2-ethylmorpholin-4-yl)-(4-methylsulfonylphenyl)methanone
CID 43070670

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-(fluoromethyl)morpholin-4-yl]-phenylmethanone?
The IUPAC name of [(2S)-2-(fluoromethyl)morpholin-4-yl]-phenylmethanone (CID 129348847) is [(2S)-2-(fluoromethyl)morpholin-4-yl]-phenylmethanone.
What is the SMILES notation for [(2S)-2-(fluoromethyl)morpholin-4-yl]-phenylmethanone?
The canonical SMILES for [(2S)-2-(fluoromethyl)morpholin-4-yl]-phenylmethanone is O=C(c1ccccc1)N1CCO[C@H](CF)C1.
What is the InChIKey of [(2S)-2-(fluoromethyl)morpholin-4-yl]-phenylmethanone?
The InChIKey is GCJVETCFFUPAQF-LLVKDONJSA-N. The full InChI is InChI=1S/C12H14FNO2/c13-8-11-9-14(6-7-16-11)12(15)10-4-2-1-3-5-10/h1-5,11H,6-9H2/t11-/m1/s1.
What are the key properties of [(2S)-2-(fluoromethyl)morpholin-4-yl]-phenylmethanone?
[(2S)-2-(fluoromethyl)morpholin-4-yl]-phenylmethanone has a molecular weight of 223.25 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-(fluoromethyl)morpholin-4-yl]-phenylmethanone is sourced from PubChem (CID 129348847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).