(2S)-2-(3,5-difluoro-2-methoxyphenyl)pyrrolidine

C11H13F2NO — CID 66518820

IUPAC(2S)-2-(3,5-difluoro-2-methoxyphenyl)pyrrolidine
SMILESCOc1c(F)cc(F)cc1[C@@H]1CCCN1
InChIInChI=1S/C11H13F2NO/c1-15-11-8(10-3-2-4-14-10)5-7(12)6-9(11)13/h5-6,10,14H,2-4H2,1H3/t10-/m0/s1
InChIKeyNEZNQTZIGGMIEO-JTQLQIEISA-N
MW213.23 g/mol
LogP2.40
Rot. Bonds2

About (2S)-2-(3,5-difluoro-2-methoxyphenyl)pyrrolidine

(2S)-2-(3,5-difluoro-2-methoxyphenyl)pyrrolidine (PubChem CID 66518820) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is (2S)-2-(3,5-difluoro-2-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name(2S)-2-(3,5-difluoro-2-methoxyphenyl)pyrrolidine
PubChem CID66518820
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name(2S)-2-(3,5-difluoro-2-methoxyphenyl)pyrrolidine
SMILESCOc1c(F)cc(F)cc1[C@@H]1CCCN1
InChIInChI=1S/C11H13F2NO/c1-15-11-8(10-3-2-4-14-10)5-7(12)6-9(11)13/h5-6,10,14H,2-4H2,1H3/t10-/m0/s1
InChIKeyNEZNQTZIGGMIEO-JTQLQIEISA-N
XLogP2.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(5-fluoro-2-methoxy-3-methylsulfanylphenyl)pyrrolidine
CID 117355654
2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine
CID 77131566
2-(2,3,5-trifluorophenyl)pyrrolidine
CID 77131470
2-(4-chloro-3,5-difluoro-2-methoxyphenyl)pyrrolidine
CID 84706284
2-(5-fluoro-3-methoxy-2-methylphenyl)pyrrolidine
CID 84677004
2-(5-bromo-4-fluoro-2,3-dimethoxyphenyl)pyrrolidine
CID 117489210
(2S)-2-(2,3,5-trifluorophenyl)pyrrolidine;hydrochloride
CID 171196335
2-[2-(cyclopropylmethoxy)-3,5-difluorophenyl]piperidine
CID 117421632
(2S)-2-(5-fluoro-2-methoxyphenyl)pyrrolidine
CID 55277653
2-(3,5-dibromo-2-methoxyphenyl)pyrrolidine
CID 3973161
2-[3-(difluoromethyl)-2-methoxy-5-methylphenyl]pyrrolidine
CID 84702557
(2S)-2-(2,5-difluorophenyl)pyrrolidine
CID 7176288

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(3,5-difluoro-2-methoxyphenyl)pyrrolidine?
The IUPAC name of (2S)-2-(3,5-difluoro-2-methoxyphenyl)pyrrolidine (CID 66518820) is (2S)-2-(3,5-difluoro-2-methoxyphenyl)pyrrolidine.
What is the SMILES notation for (2S)-2-(3,5-difluoro-2-methoxyphenyl)pyrrolidine?
The canonical SMILES for (2S)-2-(3,5-difluoro-2-methoxyphenyl)pyrrolidine is COc1c(F)cc(F)cc1[C@@H]1CCCN1.
What is the InChIKey of (2S)-2-(3,5-difluoro-2-methoxyphenyl)pyrrolidine?
The InChIKey is NEZNQTZIGGMIEO-JTQLQIEISA-N. The full InChI is InChI=1S/C11H13F2NO/c1-15-11-8(10-3-2-4-14-10)5-7(12)6-9(11)13/h5-6,10,14H,2-4H2,1H3/t10-/m0/s1.
What are the key properties of (2S)-2-(3,5-difluoro-2-methoxyphenyl)pyrrolidine?
(2S)-2-(3,5-difluoro-2-methoxyphenyl)pyrrolidine has a molecular weight of 213.23 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(3,5-difluoro-2-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 66518820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).