(2S,3R,4S,5S)-2-cyclohexyl-3-fluoro-1,5-dimethyl-4-phenylpyrrolidine

C18H26FN — CID 135011598

IUPAC(2S,3R,4S,5S)-2-cyclohexyl-3-fluoro-1,5-dimethyl-4-phenylpyrrolidine
SMILESC[C@H]1[C@H](c2ccccc2)[C@@H](F)[C@H](C2CCCCC2)N1C
InChIInChI=1S/C18H26FN/c1-13-16(14-9-5-3-6-10-14)17(19)18(20(13)2)15-11-7-4-8-12-15/h3,5-6,9-10,13,15-18H,4,7-8,11-12H2,1-2H3/t13-,16+,17+,18-/m0/s1
InChIKeySMQCSYYGGJWHGY-LIRZEXBASA-N
MW275.41 g/mol
LogP4.39
Rot. Bonds2

About (2S,3R,4S,5S)-2-cyclohexyl-3-fluoro-1,5-dimethyl-4-phenylpyrrolidine

(2S,3R,4S,5S)-2-cyclohexyl-3-fluoro-1,5-dimethyl-4-phenylpyrrolidine (PubChem CID 135011598) has the molecular formula C18H26FN and a molecular weight of 275.41 g/mol. Its IUPAC name is (2S,3R,4S,5S)-2-cyclohexyl-3-fluoro-1,5-dimethyl-4-phenylpyrrolidine.

Molecular Properties

Compound Name(2S,3R,4S,5S)-2-cyclohexyl-3-fluoro-1,5-dimethyl-4-phenylpyrrolidine
PubChem CID135011598
Molecular FormulaC18H26FN
Molecular Weight275.41 g/mol
Exact Mass275.20
IUPAC Name(2S,3R,4S,5S)-2-cyclohexyl-3-fluoro-1,5-dimethyl-4-phenylpyrrolidine
SMILESC[C@H]1[C@H](c2ccccc2)[C@@H](F)[C@H](C2CCCCC2)N1C
InChIInChI=1S/C18H26FN/c1-13-16(14-9-5-3-6-10-14)17(19)18(20(13)2)15-11-7-4-8-12-15/h3,5-6,9-10,13,15-18H,4,7-8,11-12H2,1-2H3/t13-,16+,17+,18-/m0/s1
InChIKeySMQCSYYGGJWHGY-LIRZEXBASA-N
XLogP4.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.41
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,3R,4S,5S)-2-cyclohexyl-3-fluoro-1,5-dimethyl-4-phenylpyrrolidine?
The IUPAC name of (2S,3R,4S,5S)-2-cyclohexyl-3-fluoro-1,5-dimethyl-4-phenylpyrrolidine (CID 135011598) is (2S,3R,4S,5S)-2-cyclohexyl-3-fluoro-1,5-dimethyl-4-phenylpyrrolidine.
What is the SMILES notation for (2S,3R,4S,5S)-2-cyclohexyl-3-fluoro-1,5-dimethyl-4-phenylpyrrolidine?
The canonical SMILES for (2S,3R,4S,5S)-2-cyclohexyl-3-fluoro-1,5-dimethyl-4-phenylpyrrolidine is C[C@H]1[C@H](c2ccccc2)[C@@H](F)[C@H](C2CCCCC2)N1C.
What is the InChIKey of (2S,3R,4S,5S)-2-cyclohexyl-3-fluoro-1,5-dimethyl-4-phenylpyrrolidine?
The InChIKey is SMQCSYYGGJWHGY-LIRZEXBASA-N. The full InChI is InChI=1S/C18H26FN/c1-13-16(14-9-5-3-6-10-14)17(19)18(20(13)2)15-11-7-4-8-12-15/h3,5-6,9-10,13,15-18H,4,7-8,11-12H2,1-2H3/t13-,16+,17+,18-/m0/s1.
What are the key properties of (2S,3R,4S,5S)-2-cyclohexyl-3-fluoro-1,5-dimethyl-4-phenylpyrrolidine?
(2S,3R,4S,5S)-2-cyclohexyl-3-fluoro-1,5-dimethyl-4-phenylpyrrolidine has a molecular weight of 275.41 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4S,5S)-2-cyclohexyl-3-fluoro-1,5-dimethyl-4-phenylpyrrolidine is sourced from PubChem (CID 135011598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).