1-[(2R)-2-cyclohexyloxy-3,3,3-trifluoropropyl]piperidin-1-ium

C14H25F3NO+ — CID 6986854

IUPAC1-[(2R)-2-cyclohexyloxy-3,3,3-trifluoropropyl]piperidin-1-ium
SMILESFC(F)(F)[C@@H](C[NH+]1CCCCC1)OC1CCCCC1
InChIInChI=1S/C14H24F3NO/c15-14(16,17)13(11-18-9-5-2-6-10-18)19-12-7-3-1-4-8-12/h12-13H,1-11H2/p+1/t13-/m1/s1
InChIKeyFSHIPIWVYHEIGI-CYBMUJFWSA-O
MW280.35 g/mol
LogP2.34
Rot. Bonds4

About 1-[(2R)-2-cyclohexyloxy-3,3,3-trifluoropropyl]piperidin-1-ium

1-[(2R)-2-cyclohexyloxy-3,3,3-trifluoropropyl]piperidin-1-ium (PubChem CID 6986854) has the molecular formula C14H25F3NO+ and a molecular weight of 280.35 g/mol. Its IUPAC name is 1-[(2R)-2-cyclohexyloxy-3,3,3-trifluoropropyl]piperidin-1-ium.

Molecular Properties

Compound Name1-[(2R)-2-cyclohexyloxy-3,3,3-trifluoropropyl]piperidin-1-ium
PubChem CID6986854
Molecular FormulaC14H25F3NO+
Molecular Weight280.35 g/mol
Exact Mass280.19
IUPAC Name1-[(2R)-2-cyclohexyloxy-3,3,3-trifluoropropyl]piperidin-1-ium
SMILESFC(F)(F)[C@@H](C[NH+]1CCCCC1)OC1CCCCC1
InChIInChI=1S/C14H24F3NO/c15-14(16,17)13(11-18-9-5-2-6-10-18)19-12-7-3-1-4-8-12/h12-13H,1-11H2/p+1/t13-/m1/s1
InChIKeyFSHIPIWVYHEIGI-CYBMUJFWSA-O
XLogP2.34
TPSA13.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-cyclohexyloxy-3,3,3-trifluoropropyl]piperidin-1-ium?
The IUPAC name of 1-[(2R)-2-cyclohexyloxy-3,3,3-trifluoropropyl]piperidin-1-ium (CID 6986854) is 1-[(2R)-2-cyclohexyloxy-3,3,3-trifluoropropyl]piperidin-1-ium.
What is the SMILES notation for 1-[(2R)-2-cyclohexyloxy-3,3,3-trifluoropropyl]piperidin-1-ium?
The canonical SMILES for 1-[(2R)-2-cyclohexyloxy-3,3,3-trifluoropropyl]piperidin-1-ium is FC(F)(F)[C@@H](C[NH+]1CCCCC1)OC1CCCCC1.
What is the InChIKey of 1-[(2R)-2-cyclohexyloxy-3,3,3-trifluoropropyl]piperidin-1-ium?
The InChIKey is FSHIPIWVYHEIGI-CYBMUJFWSA-O. The full InChI is InChI=1S/C14H24F3NO/c15-14(16,17)13(11-18-9-5-2-6-10-18)19-12-7-3-1-4-8-12/h12-13H,1-11H2/p+1/t13-/m1/s1.
What are the key properties of 1-[(2R)-2-cyclohexyloxy-3,3,3-trifluoropropyl]piperidin-1-ium?
1-[(2R)-2-cyclohexyloxy-3,3,3-trifluoropropyl]piperidin-1-ium has a molecular weight of 280.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-cyclohexyloxy-3,3,3-trifluoropropyl]piperidin-1-ium is sourced from PubChem (CID 6986854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).