(2S)-2-(cyclohexylmethoxymethyl)-4,4-difluoropyrrolidine

C12H21F2NO — CID 70229372

IUPAC(2S)-2-(cyclohexylmethoxymethyl)-4,4-difluoropyrrolidine
SMILESFC1(F)CN[C@H](COCC2CCCCC2)C1
InChIInChI=1S/C12H21F2NO/c13-12(14)6-11(15-9-12)8-16-7-10-4-2-1-3-5-10/h10-11,15H,1-9H2/t11-/m0/s1
InChIKeyXPAMBVQPBLKFGK-NSHDSACASA-N
MW233.30 g/mol
LogP2.58
Rot. Bonds4

About (2S)-2-(cyclohexylmethoxymethyl)-4,4-difluoropyrrolidine

(2S)-2-(cyclohexylmethoxymethyl)-4,4-difluoropyrrolidine (PubChem CID 70229372) has the molecular formula C12H21F2NO and a molecular weight of 233.30 g/mol. Its IUPAC name is (2S)-2-(cyclohexylmethoxymethyl)-4,4-difluoropyrrolidine.

Molecular Properties

Compound Name(2S)-2-(cyclohexylmethoxymethyl)-4,4-difluoropyrrolidine
PubChem CID70229372
Molecular FormulaC12H21F2NO
Molecular Weight233.30 g/mol
Exact Mass233.16
IUPAC Name(2S)-2-(cyclohexylmethoxymethyl)-4,4-difluoropyrrolidine
SMILESFC1(F)CN[C@H](COCC2CCCCC2)C1
InChIInChI=1S/C12H21F2NO/c13-12(14)6-11(15-9-12)8-16-7-10-4-2-1-3-5-10/h10-11,15H,1-9H2/t11-/m0/s1
InChIKeyXPAMBVQPBLKFGK-NSHDSACASA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.30
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(cyclohexylmethoxymethyl)-4,4-difluoropyrrolidine?
The IUPAC name of (2S)-2-(cyclohexylmethoxymethyl)-4,4-difluoropyrrolidine (CID 70229372) is (2S)-2-(cyclohexylmethoxymethyl)-4,4-difluoropyrrolidine.
What is the SMILES notation for (2S)-2-(cyclohexylmethoxymethyl)-4,4-difluoropyrrolidine?
The canonical SMILES for (2S)-2-(cyclohexylmethoxymethyl)-4,4-difluoropyrrolidine is FC1(F)CN[C@H](COCC2CCCCC2)C1.
What is the InChIKey of (2S)-2-(cyclohexylmethoxymethyl)-4,4-difluoropyrrolidine?
The InChIKey is XPAMBVQPBLKFGK-NSHDSACASA-N. The full InChI is InChI=1S/C12H21F2NO/c13-12(14)6-11(15-9-12)8-16-7-10-4-2-1-3-5-10/h10-11,15H,1-9H2/t11-/m0/s1.
What are the key properties of (2S)-2-(cyclohexylmethoxymethyl)-4,4-difluoropyrrolidine?
(2S)-2-(cyclohexylmethoxymethyl)-4,4-difluoropyrrolidine has a molecular weight of 233.30 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(cyclohexylmethoxymethyl)-4,4-difluoropyrrolidine is sourced from PubChem (CID 70229372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).