(2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)pyrrolidine

C12H15ClFNO — CID 131358748

IUPAC(2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)pyrrolidine
SMILESCCOc1c(F)cc([C@H]2CCCN2)cc1Cl
InChIInChI=1S/C12H15ClFNO/c1-2-16-12-9(13)6-8(7-10(12)14)11-4-3-5-15-11/h6-7,11,15H,2-5H2,1H3/t11-/m1/s1
InChIKeyDUJJXLBCNFNVEI-LLVKDONJSA-N
MW243.71 g/mol
LogP3.30
Rot. Bonds3

About (2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)pyrrolidine

(2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)pyrrolidine (PubChem CID 131358748) has the molecular formula C12H15ClFNO and a molecular weight of 243.71 g/mol. Its IUPAC name is (2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)pyrrolidine.

Molecular Properties

Compound Name(2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)pyrrolidine
PubChem CID131358748
Molecular FormulaC12H15ClFNO
Molecular Weight243.71 g/mol
Exact Mass243.08
IUPAC Name(2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)pyrrolidine
SMILESCCOc1c(F)cc([C@H]2CCCN2)cc1Cl
InChIInChI=1S/C12H15ClFNO/c1-2-16-12-9(13)6-8(7-10(12)14)11-4-3-5-15-11/h6-7,11,15H,2-5H2,1H3/t11-/m1/s1
InChIKeyDUJJXLBCNFNVEI-LLVKDONJSA-N
XLogP3.30
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.71
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)piperidine
CID 171195734
2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine
CID 77131566
2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)pyrrolidine
CID 117445175
(4R)-4-(3-chloro-4-ethoxy-5-fluorophenyl)-1,3-oxazinan-2-one;hydrochloride
CID 171185379
2-(3-chloro-4-fluoro-5-propan-2-ylphenyl)pyrrolidine
CID 117356620
2-(3-chloro-5-fluoro-4-methylsulfonylphenyl)piperidine
CID 117471203
2-[3-chloro-4-(cyclopropylmethoxy)-5-methoxyphenyl]pyrrolidine
CID 117452488
2,6-dichloro-4-[(2S)-pyrrolidin-2-yl]phenol
CID 130664608
2-fluoro-6-methoxy-4-pyrrolidin-2-ylphenol
CID 77131485
2-(4-tert-butyl-3,5-difluorophenyl)pyrrolidine
CID 170256865
(2R)-2-(3-chloro-4,5-dimethoxyphenyl)azepane
CID 7144642
2-(3,4-difluoro-5-methoxyphenyl)pyrrolidine;hydrochloride
CID 146049321

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)pyrrolidine?
The IUPAC name of (2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)pyrrolidine (CID 131358748) is (2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)pyrrolidine.
What is the SMILES notation for (2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)pyrrolidine?
The canonical SMILES for (2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)pyrrolidine is CCOc1c(F)cc([C@H]2CCCN2)cc1Cl.
What is the InChIKey of (2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)pyrrolidine?
The InChIKey is DUJJXLBCNFNVEI-LLVKDONJSA-N. The full InChI is InChI=1S/C12H15ClFNO/c1-2-16-12-9(13)6-8(7-10(12)14)11-4-3-5-15-11/h6-7,11,15H,2-5H2,1H3/t11-/m1/s1.
What are the key properties of (2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)pyrrolidine?
(2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)pyrrolidine has a molecular weight of 243.71 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chloro-4-ethoxy-5-fluorophenyl)pyrrolidine is sourced from PubChem (CID 131358748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).