2-methoxy-1-(2,3,4-trifluorophenyl)propan-1-ol

C10H11F3O2 — CID 79616894

IUPAC2-methoxy-1-(2,3,4-trifluorophenyl)propan-1-ol
SMILESCOC(C)C(O)c1ccc(F)c(F)c1F
InChIInChI=1S/C10H11F3O2/c1-5(15-2)10(14)6-3-4-7(11)9(13)8(6)12/h3-5,10,14H,1-2H3
InChIKeyLTWACYDEPOCOHE-UHFFFAOYSA-N
MW220.19 g/mol
LogP2.17
Rot. Bonds3

About 2-methoxy-1-(2,3,4-trifluorophenyl)propan-1-ol

2-methoxy-1-(2,3,4-trifluorophenyl)propan-1-ol (PubChem CID 79616894) has the molecular formula C10H11F3O2 and a molecular weight of 220.19 g/mol. Its IUPAC name is 2-methoxy-1-(2,3,4-trifluorophenyl)propan-1-ol.

Molecular Properties

Compound Name2-methoxy-1-(2,3,4-trifluorophenyl)propan-1-ol
PubChem CID79616894
Molecular FormulaC10H11F3O2
Molecular Weight220.19 g/mol
Exact Mass220.07
IUPAC Name2-methoxy-1-(2,3,4-trifluorophenyl)propan-1-ol
SMILESCOC(C)C(O)c1ccc(F)c(F)c1F
InChIInChI=1S/C10H11F3O2/c1-5(15-2)10(14)6-3-4-7(11)9(13)8(6)12/h3-5,10,14H,1-2H3
InChIKeyLTWACYDEPOCOHE-UHFFFAOYSA-N
XLogP2.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.19
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-difluorophenyl)-2-methoxypropan-1-ol
CID 79617746
2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol
CID 63718158
1-(5-bromo-2-fluorophenyl)-2-methoxypropan-1-ol
CID 79743530
(1S)-1-amino-1-(2,3,4-trifluorophenyl)propan-2-ol
CID 130658777
1-(2,5-dichlorophenyl)-2-methoxypropan-1-ol
CID 79615936
2-ethoxy-1-(2,3,4-trifluorophenyl)pentan-1-ol
CID 116711321
methyl 3-(2,3,4-trifluorophenyl)butanoate
CID 171372839
5-methyl-1-(2,3,4-trifluorophenyl)hexan-1-ol
CID 115829925
(4-propan-2-ylcyclohexyl)-(2,3,4-trifluorophenyl)methanol
CID 65425286
S-[2,3-dihydroxy-3-(2,3,4-trifluorophenyl)propyl] ethanethioate
CID 170821756
ethyl 2-(2,3,4-trifluorophenyl)propanoate
CID 117047580
(2,2,3,3-tetramethylcyclopropyl)-(2,3,4-trifluorophenyl)methanol
CID 115796992

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-1-(2,3,4-trifluorophenyl)propan-1-ol?
The IUPAC name of 2-methoxy-1-(2,3,4-trifluorophenyl)propan-1-ol (CID 79616894) is 2-methoxy-1-(2,3,4-trifluorophenyl)propan-1-ol.
What is the SMILES notation for 2-methoxy-1-(2,3,4-trifluorophenyl)propan-1-ol?
The canonical SMILES for 2-methoxy-1-(2,3,4-trifluorophenyl)propan-1-ol is COC(C)C(O)c1ccc(F)c(F)c1F.
What is the InChIKey of 2-methoxy-1-(2,3,4-trifluorophenyl)propan-1-ol?
The InChIKey is LTWACYDEPOCOHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3O2/c1-5(15-2)10(14)6-3-4-7(11)9(13)8(6)12/h3-5,10,14H,1-2H3.
What are the key properties of 2-methoxy-1-(2,3,4-trifluorophenyl)propan-1-ol?
2-methoxy-1-(2,3,4-trifluorophenyl)propan-1-ol has a molecular weight of 220.19 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-1-(2,3,4-trifluorophenyl)propan-1-ol is sourced from PubChem (CID 79616894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).