(2R)-2-amino-2-[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol

C21H23F6NO2 — CID 46196120

IUPAC(2R)-2-amino-2-[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol
SMILESC[C@](N)(CO)c1ccc2c(C(F)(F)F)c(OC3CCC(C(F)(F)F)CC3)ccc2c1
InChIInChI=1S/C21H23F6NO2/c1-19(28,11-29)14-5-8-16-12(10-14)2-9-17(18(16)21(25,26)27)30-15-6-3-13(4-7-15)20(22,23)24/h2,5,8-10,13,15,29H,3-4,6-7,11,28H2,1H3/t13?,15?,19-/m0/s1
InChIKeyKZWCCPBTYLQFQW-XBMPDCEQSA-N
MW435.41 g/mol
LogP5.52
Rot. Bonds4

About (2R)-2-amino-2-[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol

(2R)-2-amino-2-[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol (PubChem CID 46196120) has the molecular formula C21H23F6NO2 and a molecular weight of 435.41 g/mol. Its IUPAC name is (2R)-2-amino-2-[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol
PubChem CID46196120
Molecular FormulaC21H23F6NO2
Molecular Weight435.41 g/mol
Exact Mass435.16
IUPAC Name(2R)-2-amino-2-[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol
SMILESC[C@](N)(CO)c1ccc2c(C(F)(F)F)c(OC3CCC(C(F)(F)F)CC3)ccc2c1
InChIInChI=1S/C21H23F6NO2/c1-19(28,11-29)14-5-8-16-12(10-14)2-9-17(18(16)21(25,26)27)30-15-6-3-13(4-7-15)20(22,23)24/h2,5,8-10,13,15,29H,3-4,6-7,11,28H2,1H3/t13?,15?,19-/m0/s1
InChIKeyKZWCCPBTYLQFQW-XBMPDCEQSA-N
XLogP5.52
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.41
LogP ≤ 55.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol?
The IUPAC name of (2R)-2-amino-2-[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol (CID 46196120) is (2R)-2-amino-2-[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol?
The canonical SMILES for (2R)-2-amino-2-[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol is C[C@](N)(CO)c1ccc2c(C(F)(F)F)c(OC3CCC(C(F)(F)F)CC3)ccc2c1.
What is the InChIKey of (2R)-2-amino-2-[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol?
The InChIKey is KZWCCPBTYLQFQW-XBMPDCEQSA-N. The full InChI is InChI=1S/C21H23F6NO2/c1-19(28,11-29)14-5-8-16-12(10-14)2-9-17(18(16)21(25,26)27)30-15-6-3-13(4-7-15)20(22,23)24/h2,5,8-10,13,15,29H,3-4,6-7,11,28H2,1H3/t13?,15?,19-/m0/s1.
What are the key properties of (2R)-2-amino-2-[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol?
(2R)-2-amino-2-[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol has a molecular weight of 435.41 g/mol, XLogP of 5.52, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol is sourced from PubChem (CID 46196120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).