(2S,4R)-2-[fluoro(diphenyl)methyl]-4-methoxypyrrolidine

C18H20FNO — CID 11471670

IUPAC(2S,4R)-2-[fluoro(diphenyl)methyl]-4-methoxypyrrolidine
SMILESCO[C@H]1CN[C@H](C(F)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C18H20FNO/c1-21-16-12-17(20-13-16)18(19,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17,20H,12-13H2,1H3/t16-,17+/m1/s1
InChIKeySFQQBEQXPSCFAK-SJORKVTESA-N
MW285.36 g/mol
LogP3.28
Rot. Bonds4

About (2S,4R)-2-[fluoro(diphenyl)methyl]-4-methoxypyrrolidine

(2S,4R)-2-[fluoro(diphenyl)methyl]-4-methoxypyrrolidine (PubChem CID 11471670) has the molecular formula C18H20FNO and a molecular weight of 285.36 g/mol. Its IUPAC name is (2S,4R)-2-[fluoro(diphenyl)methyl]-4-methoxypyrrolidine.

Molecular Properties

Compound Name(2S,4R)-2-[fluoro(diphenyl)methyl]-4-methoxypyrrolidine
PubChem CID11471670
Molecular FormulaC18H20FNO
Molecular Weight285.36 g/mol
Exact Mass285.15
IUPAC Name(2S,4R)-2-[fluoro(diphenyl)methyl]-4-methoxypyrrolidine
SMILESCO[C@H]1CN[C@H](C(F)(c2ccccc2)c2ccccc2)C1
InChIInChI=1S/C18H20FNO/c1-21-16-12-17(20-13-16)18(19,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17,20H,12-13H2,1H3/t16-,17+/m1/s1
InChIKeySFQQBEQXPSCFAK-SJORKVTESA-N
XLogP3.28
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.36
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Furanmethanamine, N-ethyltetrahydro-alpha-(phenylmethyl)-, (R-(R*,R*))-
CID 71129
(3R,5S)-5-benzhydryl-N-(2-phenylethyl)oxolan-3-amine
CID 73053891
(3S,5S)-5-benzhydryl-N-[2-(4-fluorophenyl)ethyl]oxolan-3-amine
CID 73057693
(3S,5S)-5-benzhydryl-N-(2-phenylethyl)oxolan-3-amine
CID 73057974
(3R,5R)-5-[(4-octylphenyl)methyl]pyrrolidin-3-ol
CID 145980599
Drobuline
CID 60890
(2S)-2-[[(E)-11-(4-phenylphenyl)undec-10-enoxy]methyl]pyrrolidine;hydrochloride
CID 145966322
(2S)-2-[[(E)-10-(4-phenylphenyl)dec-9-enoxy]methyl]pyrrolidine;hydrochloride
CID 145966424
(3R,5S)-5-[[(E)-10-(4-phenylphenyl)dec-9-enoxy]methyl]pyrrolidin-3-ol;hydrochloride
CID 145967294
(3R,5S)-5-[[(E)-11-(4-phenylphenyl)undec-10-enoxy]methyl]pyrrolidin-3-ol;hydrochloride
CID 145969163
(3R,5S)-5-[[(E)-8-(4-phenylphenyl)oct-7-enoxy]methyl]pyrrolidin-3-ol;hydrochloride
CID 145973887
(2S)-2-[[(E)-8-(4-phenylphenyl)oct-7-enoxy]methyl]pyrrolidine;hydrochloride
CID 145978160

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-[fluoro(diphenyl)methyl]-4-methoxypyrrolidine?
The IUPAC name of (2S,4R)-2-[fluoro(diphenyl)methyl]-4-methoxypyrrolidine (CID 11471670) is (2S,4R)-2-[fluoro(diphenyl)methyl]-4-methoxypyrrolidine.
What is the SMILES notation for (2S,4R)-2-[fluoro(diphenyl)methyl]-4-methoxypyrrolidine?
The canonical SMILES for (2S,4R)-2-[fluoro(diphenyl)methyl]-4-methoxypyrrolidine is CO[C@H]1CN[C@H](C(F)(c2ccccc2)c2ccccc2)C1.
What is the InChIKey of (2S,4R)-2-[fluoro(diphenyl)methyl]-4-methoxypyrrolidine?
The InChIKey is SFQQBEQXPSCFAK-SJORKVTESA-N. The full InChI is InChI=1S/C18H20FNO/c1-21-16-12-17(20-13-16)18(19,14-8-4-2-5-9-14)15-10-6-3-7-11-15/h2-11,16-17,20H,12-13H2,1H3/t16-,17+/m1/s1.
What are the key properties of (2S,4R)-2-[fluoro(diphenyl)methyl]-4-methoxypyrrolidine?
(2S,4R)-2-[fluoro(diphenyl)methyl]-4-methoxypyrrolidine has a molecular weight of 285.36 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 (2S,4R)-2-[fluoro(diphenyl)methyl]-4-methoxypyrrolidine is sourced from PubChem (CID 11471670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).