1-[3,5-bis(trifluoromethyl)phenyl]-2-morpholin-4-ylethanol;fluorobenzene

C20H20F7NO2 — CID 142102319

IUPAC1-[3,5-bis(trifluoromethyl)phenyl]-2-morpholin-4-ylethanol;fluorobenzene
SMILESFc1ccccc1.OC(CN1CCOCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H15F6NO2.C6H5F/c15-13(16,17)10-5-9(6-11(7-10)14(18,19)20)12(22)8-21-1-3-23-4-2-21;7-6-4-2-1-3-5-6/h5-7,12,22H,1-4,8H2;1-5H
InChIKeyPWXSFZVWCASMES-UHFFFAOYSA-N
MW439.37 g/mol
LogP4.92
Rot. Bonds3

About 1-[3,5-bis(trifluoromethyl)phenyl]-2-morpholin-4-ylethanol;fluorobenzene

1-[3,5-bis(trifluoromethyl)phenyl]-2-morpholin-4-ylethanol;fluorobenzene (PubChem CID 142102319) has the molecular formula C20H20F7NO2 and a molecular weight of 439.37 g/mol. Its IUPAC name is 1-[3,5-bis(trifluoromethyl)phenyl]-2-morpholin-4-ylethanol;fluorobenzene.

Molecular Properties

Compound Name1-[3,5-bis(trifluoromethyl)phenyl]-2-morpholin-4-ylethanol;fluorobenzene
PubChem CID142102319
Molecular FormulaC20H20F7NO2
Molecular Weight439.37 g/mol
Exact Mass439.14
IUPAC Name1-[3,5-bis(trifluoromethyl)phenyl]-2-morpholin-4-ylethanol;fluorobenzene
SMILESFc1ccccc1.OC(CN1CCOCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C14H15F6NO2.C6H5F/c15-13(16,17)10-5-9(6-11(7-10)14(18,19)20)12(22)8-21-1-3-23-4-2-21;7-6-4-2-1-3-5-6/h5-7,12,22H,1-4,8H2;1-5H
InChIKeyPWXSFZVWCASMES-UHFFFAOYSA-N
XLogP4.92
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.37
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-fluorophenyl)-2-morpholin-4-ylethanol
CID 3678809
(1S)-2-morpholin-4-yl-1-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol
CID 126444747
(2S)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322239
(2R)-1-[4-[(2R)-2-hydroxy-2-phenylethyl]piperazin-1-yl]-3-morpholin-4-ylpropan-2-ol
CID 95322241
3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propanoic acid
CID 117243283
3-morpholin-4-yl-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 117242900
5-(1-hydroxy-2-morpholin-4-ylethyl)benzene-1,3-diol
CID 12556410
1-(3-amino-4-fluorophenyl)-2-morpholin-4-ylethanol
CID 82477275
(2S,3R)-2-(4-fluorophenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol
CID 1116989
2-(4-fluorophenyl)-4-morpholin-4-yl-1,3-diphenylbutan-2-ol
CID 2871832
2-piperazin-1-yl-1-[4-(trifluoromethyl)phenyl]ethanol
CID 4311567
(2R,3R)-3-(4-fluorophenyl)-1-morpholin-4-yl-2-phenylhex-5-en-3-ol
CID 92701916

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]-2-morpholin-4-ylethanol;fluorobenzene?
The IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]-2-morpholin-4-ylethanol;fluorobenzene (CID 142102319) is 1-[3,5-bis(trifluoromethyl)phenyl]-2-morpholin-4-ylethanol;fluorobenzene.
What is the SMILES notation for 1-[3,5-bis(trifluoromethyl)phenyl]-2-morpholin-4-ylethanol;fluorobenzene?
The canonical SMILES for 1-[3,5-bis(trifluoromethyl)phenyl]-2-morpholin-4-ylethanol;fluorobenzene is Fc1ccccc1.OC(CN1CCOCC1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3,5-bis(trifluoromethyl)phenyl]-2-morpholin-4-ylethanol;fluorobenzene?
The InChIKey is PWXSFZVWCASMES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F6NO2.C6H5F/c15-13(16,17)10-5-9(6-11(7-10)14(18,19)20)12(22)8-21-1-3-23-4-2-21;7-6-4-2-1-3-5-6/h5-7,12,22H,1-4,8H2;1-5H.
What are the key properties of 1-[3,5-bis(trifluoromethyl)phenyl]-2-morpholin-4-ylethanol;fluorobenzene?
1-[3,5-bis(trifluoromethyl)phenyl]-2-morpholin-4-ylethanol;fluorobenzene has a molecular weight of 439.37 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(trifluoromethyl)phenyl]-2-morpholin-4-ylethanol;fluorobenzene is sourced from PubChem (CID 142102319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).