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

C20H23F4NO2 — CID 46196228

IUPAC(2R)-2-amino-2-[5-fluoro-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol
SMILESC[C@](N)(CO)c1ccc2c(F)c(OC3CCC(C(F)(F)F)CC3)ccc2c1
InChIInChI=1S/C20H23F4NO2/c1-19(25,11-26)14-5-8-16-12(10-14)2-9-17(18(16)21)27-15-6-3-13(4-7-15)20(22,23)24/h2,5,8-10,13,15,26H,3-4,6-7,11,25H2,1H3/t13?,15?,19-/m0/s1
InChIKeyCUFXIHPSGDCRER-XBMPDCEQSA-N
MW385.40 g/mol
LogP4.64
Rot. Bonds4

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

(2R)-2-amino-2-[5-fluoro-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol (PubChem CID 46196228) has the molecular formula C20H23F4NO2 and a molecular weight of 385.40 g/mol. Its IUPAC name is (2R)-2-amino-2-[5-fluoro-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-2-[5-fluoro-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol
PubChem CID46196228
Molecular FormulaC20H23F4NO2
Molecular Weight385.40 g/mol
Exact Mass385.17
IUPAC Name(2R)-2-amino-2-[5-fluoro-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol
SMILESC[C@](N)(CO)c1ccc2c(F)c(OC3CCC(C(F)(F)F)CC3)ccc2c1
InChIInChI=1S/C20H23F4NO2/c1-19(25,11-26)14-5-8-16-12(10-14)2-9-17(18(16)21)27-15-6-3-13(4-7-15)20(22,23)24/h2,5,8-10,13,15,26H,3-4,6-7,11,25H2,1H3/t13?,15?,19-/m0/s1
InChIKeyCUFXIHPSGDCRER-XBMPDCEQSA-N
XLogP4.64
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methyl-1-[6-(2,2,2-trifluoroethoxy)naphthalen-2-yl]propan-1-ol
CID 68295900
2-Amino-2-[2-[4-(4-butoxy-2-methylphenyl)phenyl]ethyl]propane-1,3-diol
CID 11660437
[(1R,3S)-1-amino-3-[(6S)-6-[(3-methoxyphenyl)methoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 124142131
[(1R,3S)-1-amino-3-[(6R)-6-[(4-methylphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 124142138
[(1R,3S)-1-amino-3-[(6R)-6-[(2,3-difluoro-4-methoxyphenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 124142235
[(1R,3S)-1-amino-3-[(6R)-6-[(3-methoxyphenyl)methoxy]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 124142293
[(1R,3S)-1-amino-3-[(6R)-6-[(4-fluorophenoxy)methyl]-5,6,7,8-tetrahydronaphthalen-2-yl]cyclopentyl]methanol
CID 156009845
1-[({2-[(4-Fluorobenzyl)oxy]-1-naphthyl}methyl)amino]-2-propanol
CID 4715869
2-Amino-2-[2-[4-(4-butoxy-2,5-difluorophenyl)phenyl]ethyl]propane-1,3-diol
CID 46201887
2-Amino-2-[2-[4-(2-fluoro-4-phenylmethoxyphenyl)phenyl]ethyl]propane-1,3-diol
CID 46201891
2-Amino-2-(4-((5-(3,4-dimethylphenyl)-4-(3-fluorophenyl)pentyl)oxy)phenethyl)propane-1,3-diol
CID 78319490
2-(6-Methoxy-2-naphthyl)-1-(2,3,4,5-tetrafluorophenyl)-1-propanol
CID 376271

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-[5-fluoro-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol?
The IUPAC name of (2R)-2-amino-2-[5-fluoro-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol (CID 46196228) is (2R)-2-amino-2-[5-fluoro-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol.
What is the SMILES notation for (2R)-2-amino-2-[5-fluoro-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol?
The canonical SMILES for (2R)-2-amino-2-[5-fluoro-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol is C[C@](N)(CO)c1ccc2c(F)c(OC3CCC(C(F)(F)F)CC3)ccc2c1.
What is the InChIKey of (2R)-2-amino-2-[5-fluoro-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol?
The InChIKey is CUFXIHPSGDCRER-XBMPDCEQSA-N. The full InChI is InChI=1S/C20H23F4NO2/c1-19(25,11-26)14-5-8-16-12(10-14)2-9-17(18(16)21)27-15-6-3-13(4-7-15)20(22,23)24/h2,5,8-10,13,15,26H,3-4,6-7,11,25H2,1H3/t13?,15?,19-/m0/s1.
What are the key properties of (2R)-2-amino-2-[5-fluoro-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol?
(2R)-2-amino-2-[5-fluoro-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol has a molecular weight of 385.40 g/mol, XLogP of 4.64, 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-fluoro-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]propan-1-ol is sourced from PubChem (CID 46196228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).