(2S,4S)-2-(difluoromethoxymethyl)-4-[4-(trifluoromethyl)cyclohexyl]oxypyrrolidine

C13H20F5NO2 — CID 156774035

IUPAC(2S,4S)-2-(difluoromethoxymethyl)-4-[4-(trifluoromethyl)cyclohexyl]oxypyrrolidine
SMILESFC(F)OC[C@@H]1C[C@H](OC2CCC(C(F)(F)F)CC2)CN1
InChIInChI=1S/C13H20F5NO2/c14-12(15)20-7-9-5-11(6-19-9)21-10-3-1-8(2-4-10)13(16,17)18/h8-12,19H,1-7H2/t8?,9-,10?,11-/m0/s1
InChIKeyVKIXZSXKBVRDFT-YIYTYNFBSA-N
MW317.30 g/mol
LogP3.09
Rot. Bonds5

About (2S,4S)-2-(difluoromethoxymethyl)-4-[4-(trifluoromethyl)cyclohexyl]oxypyrrolidine

(2S,4S)-2-(difluoromethoxymethyl)-4-[4-(trifluoromethyl)cyclohexyl]oxypyrrolidine (PubChem CID 156774035) has the molecular formula C13H20F5NO2 and a molecular weight of 317.30 g/mol. Its IUPAC name is (2S,4S)-2-(difluoromethoxymethyl)-4-[4-(trifluoromethyl)cyclohexyl]oxypyrrolidine.

Molecular Properties

Compound Name(2S,4S)-2-(difluoromethoxymethyl)-4-[4-(trifluoromethyl)cyclohexyl]oxypyrrolidine
PubChem CID156774035
Molecular FormulaC13H20F5NO2
Molecular Weight317.30 g/mol
Exact Mass317.14
IUPAC Name(2S,4S)-2-(difluoromethoxymethyl)-4-[4-(trifluoromethyl)cyclohexyl]oxypyrrolidine
SMILESFC(F)OC[C@@H]1C[C@H](OC2CCC(C(F)(F)F)CC2)CN1
InChIInChI=1S/C13H20F5NO2/c14-12(15)20-7-9-5-11(6-19-9)21-10-3-1-8(2-4-10)13(16,17)18/h8-12,19H,1-7H2/t8?,9-,10?,11-/m0/s1
InChIKeyVKIXZSXKBVRDFT-YIYTYNFBSA-N
XLogP3.09
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-(difluoromethoxymethyl)-4-[4-(trifluoromethyl)cyclohexyl]oxypyrrolidine?
The IUPAC name of (2S,4S)-2-(difluoromethoxymethyl)-4-[4-(trifluoromethyl)cyclohexyl]oxypyrrolidine (CID 156774035) is (2S,4S)-2-(difluoromethoxymethyl)-4-[4-(trifluoromethyl)cyclohexyl]oxypyrrolidine.
What is the SMILES notation for (2S,4S)-2-(difluoromethoxymethyl)-4-[4-(trifluoromethyl)cyclohexyl]oxypyrrolidine?
The canonical SMILES for (2S,4S)-2-(difluoromethoxymethyl)-4-[4-(trifluoromethyl)cyclohexyl]oxypyrrolidine is FC(F)OC[C@@H]1C[C@H](OC2CCC(C(F)(F)F)CC2)CN1.
What is the InChIKey of (2S,4S)-2-(difluoromethoxymethyl)-4-[4-(trifluoromethyl)cyclohexyl]oxypyrrolidine?
The InChIKey is VKIXZSXKBVRDFT-YIYTYNFBSA-N. The full InChI is InChI=1S/C13H20F5NO2/c14-12(15)20-7-9-5-11(6-19-9)21-10-3-1-8(2-4-10)13(16,17)18/h8-12,19H,1-7H2/t8?,9-,10?,11-/m0/s1.
What are the key properties of (2S,4S)-2-(difluoromethoxymethyl)-4-[4-(trifluoromethyl)cyclohexyl]oxypyrrolidine?
(2S,4S)-2-(difluoromethoxymethyl)-4-[4-(trifluoromethyl)cyclohexyl]oxypyrrolidine has a molecular weight of 317.30 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-(difluoromethoxymethyl)-4-[4-(trifluoromethyl)cyclohexyl]oxypyrrolidine is sourced from PubChem (CID 156774035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).