(2-fluorophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone

C12H14FNO3 — CID 69058576

IUPAC(2-fluorophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
SMILESO=C(c1ccccc1F)N1CCOCC1CO
InChIInChI=1S/C12H14FNO3/c13-11-4-2-1-3-10(11)12(16)14-5-6-17-8-9(14)7-15/h1-4,9,15H,5-8H2
InChIKeyHQSVFCNHNLYYCV-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.66
Rot. Bonds2

About (2-fluorophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone

(2-fluorophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 69058576) has the molecular formula C12H14FNO3 and a molecular weight of 239.25 g/mol. Its IUPAC name is (2-fluorophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID69058576
Molecular FormulaC12H14FNO3
Molecular Weight239.25 g/mol
Exact Mass239.10
IUPAC Name(2-fluorophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
SMILESO=C(c1ccccc1F)N1CCOCC1CO
InChIInChI=1S/C12H14FNO3/c13-11-4-2-1-3-10(11)12(16)14-5-6-17-8-9(14)7-15/h1-4,9,15H,5-8H2
InChIKeyHQSVFCNHNLYYCV-UHFFFAOYSA-N
XLogP0.66
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]acetic acid
CID 166772200
[(3R)-3-(hydroxymethyl)morpholin-4-yl]-phenylmethanone;hydrochloride
CID 118953500
3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoic acid
CID 166772263
[3-(2-fluorophenyl)phenyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 91790121
(2-chloro-4-fluorophenyl)-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone
CID 97040195
(3-amino-2,5-difluorophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 107121481
(2,5-dibromophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 114373014
ethyl 3-[2-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]propanoate
CID 156874450
(2-chloro-4-methylphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 106861970
2-ethoxy-6-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]benzaldehyde
CID 146464591
3-[3-[(3R)-3-(hydroxymethyl)morpholine-4-carbonyl]-2-pyridinyl]propanenitrile
CID 146567627
2-[4-(2-fluoro-4-methylbenzoyl)morpholin-3-yl]acetic acid
CID 56892320

Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone (CID 69058576) is (2-fluorophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone is O=C(c1ccccc1F)N1CCOCC1CO.
What is the InChIKey of (2-fluorophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is HQSVFCNHNLYYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO3/c13-11-4-2-1-3-10(11)12(16)14-5-6-17-8-9(14)7-15/h1-4,9,15H,5-8H2.
What are the key properties of (2-fluorophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone?
(2-fluorophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone has a molecular weight of 239.25 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 69058576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).