2-chloro-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenol

C18H17ClF3NO3 — CID 70873529

IUPAC2-chloro-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenol
SMILESOc1ccc(N2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)cc1Cl
InChIInChI=1S/C18H17ClF3NO3/c19-16-11-12(1-6-17(16)24)23-9-7-14(8-10-23)25-13-2-4-15(5-3-13)26-18(20,21)22/h1-6,11,14,24H,7-10H2
InChIKeyPZWIVVLGIJVLPP-UHFFFAOYSA-N
MW387.79 g/mol
LogP4.99
Rot. Bonds4

About 2-chloro-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenol

2-chloro-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenol (PubChem CID 70873529) has the molecular formula C18H17ClF3NO3 and a molecular weight of 387.79 g/mol. Its IUPAC name is 2-chloro-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenol.

Molecular Properties

Compound Name2-chloro-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenol
PubChem CID70873529
Molecular FormulaC18H17ClF3NO3
Molecular Weight387.79 g/mol
Exact Mass387.08
IUPAC Name2-chloro-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenol
SMILESOc1ccc(N2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)cc1Cl
InChIInChI=1S/C18H17ClF3NO3/c19-16-11-12(1-6-17(16)24)23-9-7-14(8-10-23)25-13-2-4-15(5-3-13)26-18(20,21)22/h1-6,11,14,24H,7-10H2
InChIKeyPZWIVVLGIJVLPP-UHFFFAOYSA-N
XLogP4.99
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.79
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenol?
The IUPAC name of 2-chloro-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenol (CID 70873529) is 2-chloro-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenol.
What is the SMILES notation for 2-chloro-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenol?
The canonical SMILES for 2-chloro-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenol is Oc1ccc(N2CCC(Oc3ccc(OC(F)(F)F)cc3)CC2)cc1Cl.
What is the InChIKey of 2-chloro-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenol?
The InChIKey is PZWIVVLGIJVLPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClF3NO3/c19-16-11-12(1-6-17(16)24)23-9-7-14(8-10-23)25-13-2-4-15(5-3-13)26-18(20,21)22/h1-6,11,14,24H,7-10H2.
What are the key properties of 2-chloro-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenol?
2-chloro-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenol has a molecular weight of 387.79 g/mol, XLogP of 4.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[4-[4-(trifluoromethoxy)phenoxy]piperidin-1-yl]phenol is sourced from PubChem (CID 70873529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).