(2S)-2-[cyclohexyl(methoxy)methyl]-4,4-difluoropyrrolidine

C12H21F2NO — CID 20648533

IUPAC(2S)-2-[cyclohexyl(methoxy)methyl]-4,4-difluoropyrrolidine
SMILESCOC(C1CCCCC1)[C@@H]1CC(F)(F)CN1
InChIInChI=1S/C12H21F2NO/c1-16-11(9-5-3-2-4-6-9)10-7-12(13,14)8-15-10/h9-11,15H,2-8H2,1H3/t10-,11?/m0/s1
InChIKeyNIJPEKAJMHQISO-VUWPPUDQSA-N
MW233.30 g/mol
LogP2.58
Rot. Bonds3

About (2S)-2-[cyclohexyl(methoxy)methyl]-4,4-difluoropyrrolidine

(2S)-2-[cyclohexyl(methoxy)methyl]-4,4-difluoropyrrolidine (PubChem CID 20648533) has the molecular formula C12H21F2NO and a molecular weight of 233.30 g/mol. Its IUPAC name is (2S)-2-[cyclohexyl(methoxy)methyl]-4,4-difluoropyrrolidine.

Molecular Properties

Compound Name(2S)-2-[cyclohexyl(methoxy)methyl]-4,4-difluoropyrrolidine
PubChem CID20648533
Molecular FormulaC12H21F2NO
Molecular Weight233.30 g/mol
Exact Mass233.16
IUPAC Name(2S)-2-[cyclohexyl(methoxy)methyl]-4,4-difluoropyrrolidine
SMILESCOC(C1CCCCC1)[C@@H]1CC(F)(F)CN1
InChIInChI=1S/C12H21F2NO/c1-16-11(9-5-3-2-4-6-9)10-7-12(13,14)8-15-10/h9-11,15H,2-8H2,1H3/t10-,11?/m0/s1
InChIKeyNIJPEKAJMHQISO-VUWPPUDQSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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-[cyclohexyl(methoxy)methyl]-4,4-difluoropyrrolidine?
The IUPAC name of (2S)-2-[cyclohexyl(methoxy)methyl]-4,4-difluoropyrrolidine (CID 20648533) is (2S)-2-[cyclohexyl(methoxy)methyl]-4,4-difluoropyrrolidine.
What is the SMILES notation for (2S)-2-[cyclohexyl(methoxy)methyl]-4,4-difluoropyrrolidine?
The canonical SMILES for (2S)-2-[cyclohexyl(methoxy)methyl]-4,4-difluoropyrrolidine is COC(C1CCCCC1)[C@@H]1CC(F)(F)CN1.
What is the InChIKey of (2S)-2-[cyclohexyl(methoxy)methyl]-4,4-difluoropyrrolidine?
The InChIKey is NIJPEKAJMHQISO-VUWPPUDQSA-N. The full InChI is InChI=1S/C12H21F2NO/c1-16-11(9-5-3-2-4-6-9)10-7-12(13,14)8-15-10/h9-11,15H,2-8H2,1H3/t10-,11?/m0/s1.
What are the key properties of (2S)-2-[cyclohexyl(methoxy)methyl]-4,4-difluoropyrrolidine?
(2S)-2-[cyclohexyl(methoxy)methyl]-4,4-difluoropyrrolidine has a molecular weight of 233.30 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[cyclohexyl(methoxy)methyl]-4,4-difluoropyrrolidine is sourced from PubChem (CID 20648533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).