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

C12H13ClFNO3 — CID 97040195

IUPAC(2-chloro-4-fluorophenyl)-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCOC[C@H]1CO
InChIInChI=1S/C12H13ClFNO3/c13-11-5-8(14)1-2-10(11)12(17)15-3-4-18-7-9(15)6-16/h1-2,5,9,16H,3-4,6-7H2/t9-/m1/s1
InChIKeyODSZKXRDNOXTCQ-SECBINFHSA-N
MW273.69 g/mol
LogP1.31
Rot. Bonds2

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

(2-chloro-4-fluorophenyl)-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone (PubChem CID 97040195) has the molecular formula C12H13ClFNO3 and a molecular weight of 273.69 g/mol. Its IUPAC name is (2-chloro-4-fluorophenyl)-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-fluorophenyl)-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone
PubChem CID97040195
Molecular FormulaC12H13ClFNO3
Molecular Weight273.69 g/mol
Exact Mass273.06
IUPAC Name(2-chloro-4-fluorophenyl)-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone
SMILESO=C(c1ccc(F)cc1Cl)N1CCOC[C@H]1CO
InChIInChI=1S/C12H13ClFNO3/c13-11-5-8(14)1-2-10(11)12(17)15-3-4-18-7-9(15)6-16/h1-2,5,9,16H,3-4,6-7H2/t9-/m1/s1
InChIKeyODSZKXRDNOXTCQ-SECBINFHSA-N
XLogP1.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.69
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4-methylphenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 106861970
(2-fluorophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 69058576
(3-amino-2,5-difluorophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 107121481
2-[4-(4-fluoro-2-hydroxybenzoyl)morpholin-3-yl]acetic acid
CID 107013727
2-[(3S)-4-(2-chloro-4,5-difluorobenzoyl)morpholin-3-yl]acetic acid
CID 124572832
(2,5-dibromophenyl)-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 114373014
[2-(bromomethyl)piperidin-1-yl]-(2-chloro-4-fluorophenyl)methanone
CID 80658555
2-[1-(2-chloro-4-fluorobenzoyl)pyrrolidin-2-yl]acetic acid
CID 61371047
(2-chloro-4-fluorophenyl)-[(2S,4S)-2-(hydroxymethyl)-4-methoxypyrrolidin-1-yl]methanone
CID 128985191
2-[2-[3-(hydroxymethyl)morpholine-4-carbonyl]phenyl]acetic acid
CID 166772200
[4-[[(2R)-1-(2-chloro-4-fluorobenzoyl)pyrrolidin-2-yl]methoxy]phenyl]-morpholin-4-ylmethanone
CID 92900456
[5-chloro-2-(ethylamino)-4-pyridinyl]-[3-(hydroxymethyl)morpholin-4-yl]methanone
CID 114924753

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluorophenyl)-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone?
The IUPAC name of (2-chloro-4-fluorophenyl)-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone (CID 97040195) is (2-chloro-4-fluorophenyl)-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone.
What is the SMILES notation for (2-chloro-4-fluorophenyl)-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone?
The canonical SMILES for (2-chloro-4-fluorophenyl)-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone is O=C(c1ccc(F)cc1Cl)N1CCOC[C@H]1CO.
What is the InChIKey of (2-chloro-4-fluorophenyl)-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone?
The InChIKey is ODSZKXRDNOXTCQ-SECBINFHSA-N. The full InChI is InChI=1S/C12H13ClFNO3/c13-11-5-8(14)1-2-10(11)12(17)15-3-4-18-7-9(15)6-16/h1-2,5,9,16H,3-4,6-7H2/t9-/m1/s1.
What are the key properties of (2-chloro-4-fluorophenyl)-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone?
(2-chloro-4-fluorophenyl)-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone has a molecular weight of 273.69 g/mol, XLogP of 1.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluorophenyl)-[(3R)-3-(hydroxymethyl)morpholin-4-yl]methanone is sourced from PubChem (CID 97040195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).