1-[2-[(2-methylphenoxy)methyl]morpholin-4-yl]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol

C18H25F4NO4 — CID 46059444

IUPAC1-[2-[(2-methylphenoxy)methyl]morpholin-4-yl]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
SMILESCc1ccccc1OCC1CN(CC(O)COCC(F)(F)C(F)F)CCO1
InChIInChI=1S/C18H25F4NO4/c1-13-4-2-3-5-16(13)27-11-15-9-23(6-7-26-15)8-14(24)10-25-12-18(21,22)17(19)20/h2-5,14-15,17,24H,6-12H2,1H3
InChIKeyBTZPSIVSSPJDSB-UHFFFAOYSA-N
MW395.39 g/mol
LogP2.35
Rot. Bonds10

About 1-[2-[(2-methylphenoxy)methyl]morpholin-4-yl]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol

1-[2-[(2-methylphenoxy)methyl]morpholin-4-yl]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol (PubChem CID 46059444) has the molecular formula C18H25F4NO4 and a molecular weight of 395.39 g/mol. Its IUPAC name is 1-[2-[(2-methylphenoxy)methyl]morpholin-4-yl]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol.

Molecular Properties

Compound Name1-[2-[(2-methylphenoxy)methyl]morpholin-4-yl]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
PubChem CID46059444
Molecular FormulaC18H25F4NO4
Molecular Weight395.39 g/mol
Exact Mass395.17
IUPAC Name1-[2-[(2-methylphenoxy)methyl]morpholin-4-yl]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
SMILESCc1ccccc1OCC1CN(CC(O)COCC(F)(F)C(F)F)CCO1
InChIInChI=1S/C18H25F4NO4/c1-13-4-2-3-5-16(13)27-11-15-9-23(6-7-26-15)8-14(24)10-25-12-18(21,22)17(19)20/h2-5,14-15,17,24H,6-12H2,1H3
InChIKeyBTZPSIVSSPJDSB-UHFFFAOYSA-N
XLogP2.35
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-[(2-methylphenoxy)methyl]morpholin-4-yl]-3-(2-methylpropoxy)propan-2-ol
CID 42849357
4-fluoro-N-[[(2R)-4-[(2R)-2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-N-(2-methoxyethyl)benzamide
CID 99731766
(2S)-1-[(2R)-2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-phenoxypropan-2-ol
CID 92985064
(2R)-1-[(2S)-2-[(2-fluoro-5-methylphenoxy)methyl]morpholin-4-yl]-3-methoxypropan-2-ol
CID 98735681
N-[[4-[2-hydroxy-3-(2,2,3,3-tetrafluoropropoxy)propyl]morpholin-2-yl]methyl]-4-methoxy-N-(2-methoxyethyl)benzamide
CID 46060170
1-[2-[(4-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol
CID 42849352
(2S)-1-[(2R)-2-[[3-(trifluoromethyl)phenoxy]methyl]morpholin-4-yl]butan-2-ol
CID 99730970
1-[2-(2,4-dichloro-5-fluorophenyl)morpholin-4-yl]-3-(2-methylphenoxy)propan-2-ol;hydrochloride
CID 138959744
(1R)-1-[2-[(4-ethylmorpholin-2-yl)methoxy]phenyl]ethanol
CID 79171283
N-(cyclopropylmethyl)-N-[[4-[2-hydroxy-3-(2-methylphenoxy)propyl]morpholin-2-yl]methyl]-4-methylbenzamide
CID 46060301
(3R)-1-[2-hydroxy-3-(2-methylphenoxy)propyl]pyrrolidin-3-ol
CID 111101940
1-[2-[(3-methylphenoxy)methyl]morpholin-4-yl]-3-propan-2-yloxypropan-2-ol
CID 42849347

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-methylphenoxy)methyl]morpholin-4-yl]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
The IUPAC name of 1-[2-[(2-methylphenoxy)methyl]morpholin-4-yl]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol (CID 46059444) is 1-[2-[(2-methylphenoxy)methyl]morpholin-4-yl]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol.
What is the SMILES notation for 1-[2-[(2-methylphenoxy)methyl]morpholin-4-yl]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
The canonical SMILES for 1-[2-[(2-methylphenoxy)methyl]morpholin-4-yl]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol is Cc1ccccc1OCC1CN(CC(O)COCC(F)(F)C(F)F)CCO1.
What is the InChIKey of 1-[2-[(2-methylphenoxy)methyl]morpholin-4-yl]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
The InChIKey is BTZPSIVSSPJDSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F4NO4/c1-13-4-2-3-5-16(13)27-11-15-9-23(6-7-26-15)8-14(24)10-25-12-18(21,22)17(19)20/h2-5,14-15,17,24H,6-12H2,1H3.
What are the key properties of 1-[2-[(2-methylphenoxy)methyl]morpholin-4-yl]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
1-[2-[(2-methylphenoxy)methyl]morpholin-4-yl]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol has a molecular weight of 395.39 g/mol, XLogP of 2.35, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-methylphenoxy)methyl]morpholin-4-yl]-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol is sourced from PubChem (CID 46059444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).