(2S)-2-[fluoro(diphenyl)methyl]-1-methylpyrrolidine

C18H20FN — CID 135030018

IUPAC(2S)-2-[fluoro(diphenyl)methyl]-1-methylpyrrolidine
SMILESCN1CCC[C@H]1C(F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20FN/c1-20-14-8-13-17(20)18(19,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17H,8,13-14H2,1H3/t17-/m0/s1
InChIKeySSLVZFISGMMOMO-KRWDZBQOSA-N
MW269.36 g/mol
LogP3.99
Rot. Bonds3

About (2S)-2-[fluoro(diphenyl)methyl]-1-methylpyrrolidine

(2S)-2-[fluoro(diphenyl)methyl]-1-methylpyrrolidine (PubChem CID 135030018) has the molecular formula C18H20FN and a molecular weight of 269.36 g/mol. Its IUPAC name is (2S)-2-[fluoro(diphenyl)methyl]-1-methylpyrrolidine.

Molecular Properties

Compound Name(2S)-2-[fluoro(diphenyl)methyl]-1-methylpyrrolidine
PubChem CID135030018
Molecular FormulaC18H20FN
Molecular Weight269.36 g/mol
Exact Mass269.16
IUPAC Name(2S)-2-[fluoro(diphenyl)methyl]-1-methylpyrrolidine
SMILESCN1CCC[C@H]1C(F)(c1ccccc1)c1ccccc1
InChIInChI=1S/C18H20FN/c1-20-14-8-13-17(20)18(19,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17H,8,13-14H2,1H3/t17-/m0/s1
InChIKeySSLVZFISGMMOMO-KRWDZBQOSA-N
XLogP3.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.36
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[fluoro(diphenyl)methyl]-1-methylpyrrolidine?
The IUPAC name of (2S)-2-[fluoro(diphenyl)methyl]-1-methylpyrrolidine (CID 135030018) is (2S)-2-[fluoro(diphenyl)methyl]-1-methylpyrrolidine.
What is the SMILES notation for (2S)-2-[fluoro(diphenyl)methyl]-1-methylpyrrolidine?
The canonical SMILES for (2S)-2-[fluoro(diphenyl)methyl]-1-methylpyrrolidine is CN1CCC[C@H]1C(F)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2S)-2-[fluoro(diphenyl)methyl]-1-methylpyrrolidine?
The InChIKey is SSLVZFISGMMOMO-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20FN/c1-20-14-8-13-17(20)18(19,15-9-4-2-5-10-15)16-11-6-3-7-12-16/h2-7,9-12,17H,8,13-14H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-2-[fluoro(diphenyl)methyl]-1-methylpyrrolidine?
(2S)-2-[fluoro(diphenyl)methyl]-1-methylpyrrolidine has a molecular weight of 269.36 g/mol, XLogP of 3.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[fluoro(diphenyl)methyl]-1-methylpyrrolidine is sourced from PubChem (CID 135030018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).