(3R)-3-fluoro-3-[1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]pyrrolidine

C15H21F2NO — CID 122493832

IUPAC(3R)-3-fluoro-3-[1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]pyrrolidine
SMILESCOc1ccc(C(C(C)C)[C@]2(F)CCNC2)cc1F
InChIInChI=1S/C15H21F2NO/c1-10(2)14(15(17)6-7-18-9-15)11-4-5-13(19-3)12(16)8-11/h4-5,8,10,14,18H,6-7,9H2,1-3H3/t14?,15-/m0/s1
InChIKeyBSEYLAVTARDESN-LOACHALJSA-N
MW269.33 g/mol
LogP3.28
Rot. Bonds4

About (3R)-3-fluoro-3-[1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]pyrrolidine

(3R)-3-fluoro-3-[1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]pyrrolidine (PubChem CID 122493832) has the molecular formula C15H21F2NO and a molecular weight of 269.33 g/mol. Its IUPAC name is (3R)-3-fluoro-3-[1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]pyrrolidine.

Molecular Properties

Compound Name(3R)-3-fluoro-3-[1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]pyrrolidine
PubChem CID122493832
Molecular FormulaC15H21F2NO
Molecular Weight269.33 g/mol
Exact Mass269.16
IUPAC Name(3R)-3-fluoro-3-[1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]pyrrolidine
SMILESCOc1ccc(C(C(C)C)[C@]2(F)CCNC2)cc1F
InChIInChI=1S/C15H21F2NO/c1-10(2)14(15(17)6-7-18-9-15)11-4-5-13(19-3)12(16)8-11/h4-5,8,10,14,18H,6-7,9H2,1-3H3/t14?,15-/m0/s1
InChIKeyBSEYLAVTARDESN-LOACHALJSA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]cyclopropan-1-amine
CID 83912257
3-fluoro-3-(3-fluoro-4-methoxyphenyl)pyrrolidine
CID 112564332
1-[(1R)-1-(3-fluoro-4-methoxyphenyl)ethyl]piperazine;hydrochloride
CID 171168811
(1R)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7047663
(1S)-1-(3-fluoro-4-methoxyphenyl)ethanamine
CID 7016603
[1-(dimethylamino)cyclohexyl]-(3-fluoro-4-methoxyphenyl)methanol
CID 79066938
(4,4-difluorocyclohexyl)-(3-fluoro-4-methoxyphenyl)methanol
CID 105095417
(3-fluoro-4-methoxyphenyl)-(1-methoxycyclobutyl)methanamine
CID 116713947
1-(3-fluoro-4-methoxyphenyl)-2-piperazin-1-ylpropan-1-amine
CID 116946740
1-[(1S)-1-(3-fluoro-4-methoxyphenyl)-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171275028
[1-[amino-(3-fluoro-4-methoxyphenyl)methyl]cyclopropyl]methanol
CID 116943189
4-(dichloromethyl)-2-fluoro-1-methoxybenzene
CID 150361147

Frequently Asked Questions

What is the IUPAC name of (3R)-3-fluoro-3-[1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]pyrrolidine?
The IUPAC name of (3R)-3-fluoro-3-[1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]pyrrolidine (CID 122493832) is (3R)-3-fluoro-3-[1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]pyrrolidine.
What is the SMILES notation for (3R)-3-fluoro-3-[1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]pyrrolidine?
The canonical SMILES for (3R)-3-fluoro-3-[1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]pyrrolidine is COc1ccc(C(C(C)C)[C@]2(F)CCNC2)cc1F.
What is the InChIKey of (3R)-3-fluoro-3-[1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]pyrrolidine?
The InChIKey is BSEYLAVTARDESN-LOACHALJSA-N. The full InChI is InChI=1S/C15H21F2NO/c1-10(2)14(15(17)6-7-18-9-15)11-4-5-13(19-3)12(16)8-11/h4-5,8,10,14,18H,6-7,9H2,1-3H3/t14?,15-/m0/s1.
What are the key properties of (3R)-3-fluoro-3-[1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]pyrrolidine?
(3R)-3-fluoro-3-[1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]pyrrolidine has a molecular weight of 269.33 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-fluoro-3-[1-(3-fluoro-4-methoxyphenyl)-2-methylpropyl]pyrrolidine is sourced from PubChem (CID 122493832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).