(1R)-2-(4,4-difluorocyclohexyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol

C18H25F2NO2 — CID 57341754

IUPAC(1R)-2-(4,4-difluorocyclohexyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol
SMILESO[C@](CC1CCC(F)(F)CC1)(c1ccccc1)[C@@H]1CNCCO1
InChIInChI=1S/C18H25F2NO2/c19-17(20)8-6-14(7-9-17)12-18(22,15-4-2-1-3-5-15)16-13-21-10-11-23-16/h1-5,14,16,21-22H,6-13H2/t16-,18+/m0/s1
InChIKeyJGDXYUIOGBDOTQ-FUHWJXTLSA-N
MW325.40 g/mol
LogP3.08
Rot. Bonds4

About (1R)-2-(4,4-difluorocyclohexyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol

(1R)-2-(4,4-difluorocyclohexyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol (PubChem CID 57341754) has the molecular formula C18H25F2NO2 and a molecular weight of 325.40 g/mol. Its IUPAC name is (1R)-2-(4,4-difluorocyclohexyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-2-(4,4-difluorocyclohexyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol
PubChem CID57341754
Molecular FormulaC18H25F2NO2
Molecular Weight325.40 g/mol
Exact Mass325.19
IUPAC Name(1R)-2-(4,4-difluorocyclohexyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol
SMILESO[C@](CC1CCC(F)(F)CC1)(c1ccccc1)[C@@H]1CNCCO1
InChIInChI=1S/C18H25F2NO2/c19-17(20)8-6-14(7-9-17)12-18(22,15-4-2-1-3-5-15)16-13-21-10-11-23-16/h1-5,14,16,21-22H,6-13H2/t16-,18+/m0/s1
InChIKeyJGDXYUIOGBDOTQ-FUHWJXTLSA-N
XLogP3.08
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.40
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-2-(4,4-difluorocyclohexyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol?
The IUPAC name of (1R)-2-(4,4-difluorocyclohexyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol (CID 57341754) is (1R)-2-(4,4-difluorocyclohexyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol.
What is the SMILES notation for (1R)-2-(4,4-difluorocyclohexyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol?
The canonical SMILES for (1R)-2-(4,4-difluorocyclohexyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol is O[C@](CC1CCC(F)(F)CC1)(c1ccccc1)[C@@H]1CNCCO1.
What is the InChIKey of (1R)-2-(4,4-difluorocyclohexyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol?
The InChIKey is JGDXYUIOGBDOTQ-FUHWJXTLSA-N. The full InChI is InChI=1S/C18H25F2NO2/c19-17(20)8-6-14(7-9-17)12-18(22,15-4-2-1-3-5-15)16-13-21-10-11-23-16/h1-5,14,16,21-22H,6-13H2/t16-,18+/m0/s1.
What are the key properties of (1R)-2-(4,4-difluorocyclohexyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol?
(1R)-2-(4,4-difluorocyclohexyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol has a molecular weight of 325.40 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2-(4,4-difluorocyclohexyl)-1-[(2S)-morpholin-2-yl]-1-phenylethanol is sourced from PubChem (CID 57341754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).