(3R)-3-(3-chloro-2,6-difluorophenyl)morpholine

C10H10ClF2NO — CID 131546881

IUPAC(3R)-3-(3-chloro-2,6-difluorophenyl)morpholine
SMILESFc1ccc(Cl)c(F)c1[C@@H]1COCCN1
InChIInChI=1S/C10H10ClF2NO/c11-6-1-2-7(12)9(10(6)13)8-5-15-4-3-14-8/h1-2,8,14H,3-5H2/t8-/m0/s1
InChIKeyQKWAKARPPFVKQB-QMMMGPOBSA-N
MW233.64 g/mol
LogP2.28
Rot. Bonds1

About (3R)-3-(3-chloro-2,6-difluorophenyl)morpholine

(3R)-3-(3-chloro-2,6-difluorophenyl)morpholine (PubChem CID 131546881) has the molecular formula C10H10ClF2NO and a molecular weight of 233.64 g/mol. Its IUPAC name is (3R)-3-(3-chloro-2,6-difluorophenyl)morpholine.

Molecular Properties

Compound Name(3R)-3-(3-chloro-2,6-difluorophenyl)morpholine
PubChem CID131546881
Molecular FormulaC10H10ClF2NO
Molecular Weight233.64 g/mol
Exact Mass233.04
IUPAC Name(3R)-3-(3-chloro-2,6-difluorophenyl)morpholine
SMILESFc1ccc(Cl)c(F)c1[C@@H]1COCCN1
InChIInChI=1S/C10H10ClF2NO/c11-6-1-2-7(12)9(10(6)13)8-5-15-4-3-14-8/h1-2,8,14H,3-5H2/t8-/m0/s1
InChIKeyQKWAKARPPFVKQB-QMMMGPOBSA-N
XLogP2.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.64
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-(2,3-dichloro-6-fluorophenyl)morpholine;hydrochloride
CID 171192935
(3R)-3-(2-chloro-3,6-difluorophenyl)morpholine
CID 97291243
(3S)-3-(2-chloro-6-fluoro-3-methylphenyl)morpholine;hydrochloride
CID 171193285
(2S)-2-(3-chloro-2,6-difluorophenyl)pyrrolidine;hydrochloride
CID 171196413
3-(2,5-dichlorophenyl)morpholine
CID 126971180
6-bromo-3-fluoro-2-[(3R)-morpholin-3-yl]phenol
CID 131522958
(3R)-3-(2,6-dichlorophenyl)morpholine;hydrochloride
CID 171192450
6-fluoro-3-methyl-2-[(3S)-morpholin-3-yl]phenol
CID 131487567
(3S)-3-(5,6-dichloro-2-pyridinyl)morpholine
CID 130706269
3-bromo-6-chloro-2-[(3S)-morpholin-3-yl]phenol
CID 131447436
(3S)-3-(2-chloro-6-methylphenyl)morpholine
CID 131168891
(3S)-3-(3,4,5-trifluorophenyl)morpholine
CID 131573948

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-chloro-2,6-difluorophenyl)morpholine?
The IUPAC name of (3R)-3-(3-chloro-2,6-difluorophenyl)morpholine (CID 131546881) is (3R)-3-(3-chloro-2,6-difluorophenyl)morpholine.
What is the SMILES notation for (3R)-3-(3-chloro-2,6-difluorophenyl)morpholine?
The canonical SMILES for (3R)-3-(3-chloro-2,6-difluorophenyl)morpholine is Fc1ccc(Cl)c(F)c1[C@@H]1COCCN1.
What is the InChIKey of (3R)-3-(3-chloro-2,6-difluorophenyl)morpholine?
The InChIKey is QKWAKARPPFVKQB-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H10ClF2NO/c11-6-1-2-7(12)9(10(6)13)8-5-15-4-3-14-8/h1-2,8,14H,3-5H2/t8-/m0/s1.
What are the key properties of (3R)-3-(3-chloro-2,6-difluorophenyl)morpholine?
(3R)-3-(3-chloro-2,6-difluorophenyl)morpholine has a molecular weight of 233.64 g/mol, XLogP of 2.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-chloro-2,6-difluorophenyl)morpholine is sourced from PubChem (CID 131546881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).