(2S)-2-(2,6-difluoro-3-methoxyphenyl)pyrrolidine;hydrochloride

C11H14ClF2NO — CID 171196574

IUPAC(2S)-2-(2,6-difluoro-3-methoxyphenyl)pyrrolidine;hydrochloride
SMILESCOc1ccc(F)c([C@@H]2CCCN2)c1F.Cl
InChIInChI=1S/C11H13F2NO.ClH/c1-15-9-5-4-7(12)10(11(9)13)8-3-2-6-14-8;/h4-5,8,14H,2-3,6H2,1H3;1H/t8-;/m0./s1
InChIKeyVDXVRMDBMQKXKN-QRPNPIFTSA-N
MW249.69 g/mol
LogP2.82
Rot. Bonds2

About (2S)-2-(2,6-difluoro-3-methoxyphenyl)pyrrolidine;hydrochloride

(2S)-2-(2,6-difluoro-3-methoxyphenyl)pyrrolidine;hydrochloride (PubChem CID 171196574) has the molecular formula C11H14ClF2NO and a molecular weight of 249.69 g/mol. Its IUPAC name is (2S)-2-(2,6-difluoro-3-methoxyphenyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(2,6-difluoro-3-methoxyphenyl)pyrrolidine;hydrochloride
PubChem CID171196574
Molecular FormulaC11H14ClF2NO
Molecular Weight249.69 g/mol
Exact Mass249.07
IUPAC Name(2S)-2-(2,6-difluoro-3-methoxyphenyl)pyrrolidine;hydrochloride
SMILESCOc1ccc(F)c([C@@H]2CCCN2)c1F.Cl
InChIInChI=1S/C11H13F2NO.ClH/c1-15-9-5-4-7(12)10(11(9)13)8-3-2-6-14-8;/h4-5,8,14H,2-3,6H2,1H3;1H/t8-;/m0./s1
InChIKeyVDXVRMDBMQKXKN-QRPNPIFTSA-N
XLogP2.82
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.69
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(2,3-difluoro-6-methoxyphenyl)pyrrolidine
CID 165345527
2-(6-bromo-2-fluoro-3-methoxyphenyl)pyrrolidine
CID 84713802
2-(2,6-difluoro-3-methylphenyl)pyrrolidine;hydrochloride
CID 138040825
2-(6-bromo-2-fluoro-3-methoxyphenyl)piperidine
CID 117465054
(2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine
CID 66518496
(2S)-2-(3-chloro-2,6-difluorophenyl)pyrrolidine;hydrochloride
CID 171196413
2-(2,6-difluoro-3-methylsulfanylphenyl)pyrrolidine
CID 117330920
(2R)-2-(2,6-difluoro-3-methylphenyl)piperidine
CID 131271517
2,4-difluoro-3-pyrrolidin-2-ylphenol
CID 84775150
(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 55277653
2-(3-bromo-2-fluoro-6-methoxyphenyl)piperidine
CID 84814358
2-(3,4-difluoro-5-methoxyphenyl)pyrrolidine;hydrochloride
CID 146049321

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,6-difluoro-3-methoxyphenyl)pyrrolidine;hydrochloride?
The IUPAC name of (2S)-2-(2,6-difluoro-3-methoxyphenyl)pyrrolidine;hydrochloride (CID 171196574) is (2S)-2-(2,6-difluoro-3-methoxyphenyl)pyrrolidine;hydrochloride.
What is the SMILES notation for (2S)-2-(2,6-difluoro-3-methoxyphenyl)pyrrolidine;hydrochloride?
The canonical SMILES for (2S)-2-(2,6-difluoro-3-methoxyphenyl)pyrrolidine;hydrochloride is COc1ccc(F)c([C@@H]2CCCN2)c1F.Cl.
What is the InChIKey of (2S)-2-(2,6-difluoro-3-methoxyphenyl)pyrrolidine;hydrochloride?
The InChIKey is VDXVRMDBMQKXKN-QRPNPIFTSA-N. The full InChI is InChI=1S/C11H13F2NO.ClH/c1-15-9-5-4-7(12)10(11(9)13)8-3-2-6-14-8;/h4-5,8,14H,2-3,6H2,1H3;1H/t8-;/m0./s1.
What are the key properties of (2S)-2-(2,6-difluoro-3-methoxyphenyl)pyrrolidine;hydrochloride?
(2S)-2-(2,6-difluoro-3-methoxyphenyl)pyrrolidine;hydrochloride has a molecular weight of 249.69 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,6-difluoro-3-methoxyphenyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 171196574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).