(2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol

C14H13F3O2 — CID 115796955

IUPAC(2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol
SMILESCc1oc(C)c(C(O)c2ccc(F)c(F)c2F)c1C
InChIInChI=1S/C14H13F3O2/c1-6-7(2)19-8(3)11(6)14(18)9-4-5-10(15)13(17)12(9)16/h4-5,14,18H,1-3H3
InChIKeyUYKDXDLUDLJYFB-UHFFFAOYSA-N
MW270.25 g/mol
LogP3.70
Rot. Bonds2

About (2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol

(2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol (PubChem CID 115796955) has the molecular formula C14H13F3O2 and a molecular weight of 270.25 g/mol. Its IUPAC name is (2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol.

Molecular Properties

Compound Name(2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol
PubChem CID115796955
Molecular FormulaC14H13F3O2
Molecular Weight270.25 g/mol
Exact Mass270.09
IUPAC Name(2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol
SMILESCc1oc(C)c(C(O)c2ccc(F)c(F)c2F)c1C
InChIInChI=1S/C14H13F3O2/c1-6-7(2)19-8(3)11(6)14(18)9-4-5-10(15)13(17)12(9)16/h4-5,14,18H,1-3H3
InChIKeyUYKDXDLUDLJYFB-UHFFFAOYSA-N
XLogP3.70
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 53.70
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

(4-fluoronaphthalen-1-yl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 65153464
(2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
CID 115855177
(2,5-dichlorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 65152971
(2,3-difluoro-4-methylphenyl)-(2,4,5-trimethylfuran-3-yl)methanamine
CID 107515381
(5-fluoro-2-methylphenyl)-(2,3,4-trifluorophenyl)methanol
CID 62964628
(2-fluoro-4,6-dimethylphenyl)-(2,4,5-trimethylfuran-3-yl)methanol
CID 106884178
(2-methyl-3-pyridinyl)-(2,3,4-trifluorophenyl)methanol
CID 105097054
(3,4-difluorophenyl)-(2,3,4-trifluorophenyl)methanol
CID 62965110
(2-chloro-6-methoxyphenyl)-(2,3,4-trifluorophenyl)methanol
CID 104817019
2-methyl-1-(2,3,4-trifluorophenyl)butan-1-ol
CID 63718158
2-(2,5-difluorophenyl)-1-(2,4,5-trimethylfuran-3-yl)ethanol
CID 114981981
(2-chloro-4,5-difluorophenyl)-(2,3,4-trifluorophenyl)methanol
CID 107476982

Frequently Asked Questions

What is the IUPAC name of (2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol?
The IUPAC name of (2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol (CID 115796955) is (2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol.
What is the SMILES notation for (2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol?
The canonical SMILES for (2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol is Cc1oc(C)c(C(O)c2ccc(F)c(F)c2F)c1C.
What is the InChIKey of (2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol?
The InChIKey is UYKDXDLUDLJYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3O2/c1-6-7(2)19-8(3)11(6)14(18)9-4-5-10(15)13(17)12(9)16/h4-5,14,18H,1-3H3.
What are the key properties of (2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol?
(2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol has a molecular weight of 270.25 g/mol, XLogP of 3.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4-trifluorophenyl)-(2,4,5-trimethylfuran-3-yl)methanol is sourced from PubChem (CID 115796955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).