(2R)-2-amino-2-[6-[3-(trifluoromethoxy)phenoxy]naphthalen-2-yl]propan-1-ol

C20H18F3NO3 — CID 46196316

IUPAC(2R)-2-amino-2-[6-[3-(trifluoromethoxy)phenoxy]naphthalen-2-yl]propan-1-ol
SMILESC[C@](N)(CO)c1ccc2cc(Oc3cccc(OC(F)(F)F)c3)ccc2c1
InChIInChI=1S/C20H18F3NO3/c1-19(24,12-25)15-7-5-14-10-17(8-6-13(14)9-15)26-16-3-2-4-18(11-16)27-20(21,22)23/h2-11,25H,12,24H2,1H3/t19-/m0/s1
InChIKeyFMEQTQMPMMHNQR-IBGZPJMESA-N
MW377.36 g/mol
LogP4.70
Rot. Bonds5

About (2R)-2-amino-2-[6-[3-(trifluoromethoxy)phenoxy]naphthalen-2-yl]propan-1-ol

(2R)-2-amino-2-[6-[3-(trifluoromethoxy)phenoxy]naphthalen-2-yl]propan-1-ol (PubChem CID 46196316) has the molecular formula C20H18F3NO3 and a molecular weight of 377.36 g/mol. Its IUPAC name is (2R)-2-amino-2-[6-[3-(trifluoromethoxy)phenoxy]naphthalen-2-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-[6-[3-(trifluoromethoxy)phenoxy]naphthalen-2-yl]propan-1-ol
PubChem CID46196316
Molecular FormulaC20H18F3NO3
Molecular Weight377.36 g/mol
Exact Mass377.12
IUPAC Name(2R)-2-amino-2-[6-[3-(trifluoromethoxy)phenoxy]naphthalen-2-yl]propan-1-ol
SMILESC[C@](N)(CO)c1ccc2cc(Oc3cccc(OC(F)(F)F)c3)ccc2c1
InChIInChI=1S/C20H18F3NO3/c1-19(24,12-25)15-7-5-14-10-17(8-6-13(14)9-15)26-16-3-2-4-18(11-16)27-20(21,22)23/h2-11,25H,12,24H2,1H3/t19-/m0/s1
InChIKeyFMEQTQMPMMHNQR-IBGZPJMESA-N
XLogP4.70
TPSA64.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.36
LogP ≤ 54.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[6-[3-(trifluoromethoxy)phenoxy]naphthalen-2-yl]propan-1-ol?
The IUPAC name of (2R)-2-amino-2-[6-[3-(trifluoromethoxy)phenoxy]naphthalen-2-yl]propan-1-ol (CID 46196316) is (2R)-2-amino-2-[6-[3-(trifluoromethoxy)phenoxy]naphthalen-2-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-[6-[3-(trifluoromethoxy)phenoxy]naphthalen-2-yl]propan-1-ol?
The canonical SMILES for (2R)-2-amino-2-[6-[3-(trifluoromethoxy)phenoxy]naphthalen-2-yl]propan-1-ol is C[C@](N)(CO)c1ccc2cc(Oc3cccc(OC(F)(F)F)c3)ccc2c1.
What is the InChIKey of (2R)-2-amino-2-[6-[3-(trifluoromethoxy)phenoxy]naphthalen-2-yl]propan-1-ol?
The InChIKey is FMEQTQMPMMHNQR-IBGZPJMESA-N. The full InChI is InChI=1S/C20H18F3NO3/c1-19(24,12-25)15-7-5-14-10-17(8-6-13(14)9-15)26-16-3-2-4-18(11-16)27-20(21,22)23/h2-11,25H,12,24H2,1H3/t19-/m0/s1.
What are the key properties of (2R)-2-amino-2-[6-[3-(trifluoromethoxy)phenoxy]naphthalen-2-yl]propan-1-ol?
(2R)-2-amino-2-[6-[3-(trifluoromethoxy)phenoxy]naphthalen-2-yl]propan-1-ol has a molecular weight of 377.36 g/mol, XLogP of 4.70, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[6-[3-(trifluoromethoxy)phenoxy]naphthalen-2-yl]propan-1-ol is sourced from PubChem (CID 46196316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).