(2R,4S)-4-fluoro-2-(3-fluoro-5-methylcyclohexyl)pyrrolidine

C11H19F2N — CID 156542154

IUPAC(2R,4S)-4-fluoro-2-(3-fluoro-5-methylcyclohexyl)pyrrolidine
SMILESCC1CC(F)CC([C@H]2C[C@H](F)CN2)C1
InChIInChI=1S/C11H19F2N/c1-7-2-8(4-9(12)3-7)11-5-10(13)6-14-11/h7-11,14H,2-6H2,1H3/t7?,8?,9?,10-,11+/m0/s1
InChIKeyOYMOZDIHCGDNNL-NTBGYTOLSA-N
MW203.28 g/mol
LogP2.46
Rot. Bonds1

About (2R,4S)-4-fluoro-2-(3-fluoro-5-methylcyclohexyl)pyrrolidine

(2R,4S)-4-fluoro-2-(3-fluoro-5-methylcyclohexyl)pyrrolidine (PubChem CID 156542154) has the molecular formula C11H19F2N and a molecular weight of 203.28 g/mol. Its IUPAC name is (2R,4S)-4-fluoro-2-(3-fluoro-5-methylcyclohexyl)pyrrolidine.

Molecular Properties

Compound Name(2R,4S)-4-fluoro-2-(3-fluoro-5-methylcyclohexyl)pyrrolidine
PubChem CID156542154
Molecular FormulaC11H19F2N
Molecular Weight203.28 g/mol
Exact Mass203.15
IUPAC Name(2R,4S)-4-fluoro-2-(3-fluoro-5-methylcyclohexyl)pyrrolidine
SMILESCC1CC(F)CC([C@H]2C[C@H](F)CN2)C1
InChIInChI=1S/C11H19F2N/c1-7-2-8(4-9(12)3-7)11-5-10(13)6-14-11/h7-11,14H,2-6H2,1H3/t7?,8?,9?,10-,11+/m0/s1
InChIKeyOYMOZDIHCGDNNL-NTBGYTOLSA-N
XLogP2.46
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-fluoro-2-(3-fluoro-5-methylcyclohexyl)pyrrolidine?
The IUPAC name of (2R,4S)-4-fluoro-2-(3-fluoro-5-methylcyclohexyl)pyrrolidine (CID 156542154) is (2R,4S)-4-fluoro-2-(3-fluoro-5-methylcyclohexyl)pyrrolidine.
What is the SMILES notation for (2R,4S)-4-fluoro-2-(3-fluoro-5-methylcyclohexyl)pyrrolidine?
The canonical SMILES for (2R,4S)-4-fluoro-2-(3-fluoro-5-methylcyclohexyl)pyrrolidine is CC1CC(F)CC([C@H]2C[C@H](F)CN2)C1.
What is the InChIKey of (2R,4S)-4-fluoro-2-(3-fluoro-5-methylcyclohexyl)pyrrolidine?
The InChIKey is OYMOZDIHCGDNNL-NTBGYTOLSA-N. The full InChI is InChI=1S/C11H19F2N/c1-7-2-8(4-9(12)3-7)11-5-10(13)6-14-11/h7-11,14H,2-6H2,1H3/t7?,8?,9?,10-,11+/m0/s1.
What are the key properties of (2R,4S)-4-fluoro-2-(3-fluoro-5-methylcyclohexyl)pyrrolidine?
(2R,4S)-4-fluoro-2-(3-fluoro-5-methylcyclohexyl)pyrrolidine has a molecular weight of 203.28 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-fluoro-2-(3-fluoro-5-methylcyclohexyl)pyrrolidine is sourced from PubChem (CID 156542154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).