(3R)-3-(2,3-dichloro-6-fluorophenyl)morpholine;hydrochloride

C10H11Cl3FNO — CID 171192935

IUPAC(3R)-3-(2,3-dichloro-6-fluorophenyl)morpholine;hydrochloride
SMILESCl.Fc1ccc(Cl)c(Cl)c1[C@@H]1COCCN1
InChIInChI=1S/C10H10Cl2FNO.ClH/c11-6-1-2-7(13)9(10(6)12)8-5-15-4-3-14-8;/h1-2,8,14H,3-5H2;1H/t8-;/m0./s1
InChIKeyYUTVGVWJCPJSOJ-QRPNPIFTSA-N
MW286.56 g/mol
LogP3.22
Rot. Bonds1

About (3R)-3-(2,3-dichloro-6-fluorophenyl)morpholine;hydrochloride

(3R)-3-(2,3-dichloro-6-fluorophenyl)morpholine;hydrochloride (PubChem CID 171192935) has the molecular formula C10H11Cl3FNO and a molecular weight of 286.56 g/mol. Its IUPAC name is (3R)-3-(2,3-dichloro-6-fluorophenyl)morpholine;hydrochloride.

Molecular Properties

Compound Name(3R)-3-(2,3-dichloro-6-fluorophenyl)morpholine;hydrochloride
PubChem CID171192935
Molecular FormulaC10H11Cl3FNO
Molecular Weight286.56 g/mol
Exact Mass284.99
IUPAC Name(3R)-3-(2,3-dichloro-6-fluorophenyl)morpholine;hydrochloride
SMILESCl.Fc1ccc(Cl)c(Cl)c1[C@@H]1COCCN1
InChIInChI=1S/C10H10Cl2FNO.ClH/c11-6-1-2-7(13)9(10(6)12)8-5-15-4-3-14-8;/h1-2,8,14H,3-5H2;1H/t8-;/m0./s1
InChIKeyYUTVGVWJCPJSOJ-QRPNPIFTSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.56
LogP ≤ 53.22
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-chloro-3,6-difluorophenyl)morpholine
CID 97291243
(3S)-3-(2-chloro-6-fluoro-3-methylphenyl)morpholine;hydrochloride
CID 171193285
(3R)-3-(3-chloro-2,6-difluorophenyl)morpholine
CID 131546881
(3R)-3-(2,6-dichlorophenyl)morpholine;hydrochloride
CID 171192450
3-(2,5-dichlorophenyl)morpholine
CID 126971180
6-bromo-3-fluoro-2-[(3R)-morpholin-3-yl]phenol
CID 131522958
6-fluoro-3-methyl-2-[(3S)-morpholin-3-yl]phenol
CID 131487567
(3S)-3-(4-bromo-2,6-difluorophenyl)morpholine;hydrochloride
CID 171193198
(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-(3,6-difluoro-2-pyridinyl)morpholine
CID 130648555

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(2,3-dichloro-6-fluorophenyl)morpholine;hydrochloride?
The IUPAC name of (3R)-3-(2,3-dichloro-6-fluorophenyl)morpholine;hydrochloride (CID 171192935) is (3R)-3-(2,3-dichloro-6-fluorophenyl)morpholine;hydrochloride.
What is the SMILES notation for (3R)-3-(2,3-dichloro-6-fluorophenyl)morpholine;hydrochloride?
The canonical SMILES for (3R)-3-(2,3-dichloro-6-fluorophenyl)morpholine;hydrochloride is Cl.Fc1ccc(Cl)c(Cl)c1[C@@H]1COCCN1.
What is the InChIKey of (3R)-3-(2,3-dichloro-6-fluorophenyl)morpholine;hydrochloride?
The InChIKey is YUTVGVWJCPJSOJ-QRPNPIFTSA-N. The full InChI is InChI=1S/C10H10Cl2FNO.ClH/c11-6-1-2-7(13)9(10(6)12)8-5-15-4-3-14-8;/h1-2,8,14H,3-5H2;1H/t8-;/m0./s1.
What are the key properties of (3R)-3-(2,3-dichloro-6-fluorophenyl)morpholine;hydrochloride?
(3R)-3-(2,3-dichloro-6-fluorophenyl)morpholine;hydrochloride has a molecular weight of 286.56 g/mol, XLogP of 3.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(2,3-dichloro-6-fluorophenyl)morpholine;hydrochloride is sourced from PubChem (CID 171192935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).