1-(2,5-dimethylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol

C14H18F4O2 — CID 103474191

IUPAC1-(2,5-dimethylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
SMILESCc1ccc(C)c(CC(O)COCC(F)(F)C(F)F)c1
InChIInChI=1S/C14H18F4O2/c1-9-3-4-10(2)11(5-9)6-12(19)7-20-8-14(17,18)13(15)16/h3-5,12-13,19H,6-8H2,1-2H3
InChIKeyMVGIEWRHNNCVPZ-UHFFFAOYSA-N
MW294.29 g/mol
LogP3.12
Rot. Bonds7

About 1-(2,5-dimethylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol

1-(2,5-dimethylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol (PubChem CID 103474191) has the molecular formula C14H18F4O2 and a molecular weight of 294.29 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
PubChem CID103474191
Molecular FormulaC14H18F4O2
Molecular Weight294.29 g/mol
Exact Mass294.12
IUPAC Name1-(2,5-dimethylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
SMILESCc1ccc(C)c(CC(O)COCC(F)(F)C(F)F)c1
InChIInChI=1S/C14H18F4O2/c1-9-3-4-10(2)11(5-9)6-12(19)7-20-8-14(17,18)13(15)16/h3-5,12-13,19H,6-8H2,1-2H3
InChIKeyMVGIEWRHNNCVPZ-UHFFFAOYSA-N
XLogP3.12
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-methoxy-5-methylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103474152
(2R)-1-(2,5-dimethylphenyl)butan-2-ol
CID 94208295
1-(2,5-dimethylphenyl)-5,5,5-trifluoropentan-2-ol
CID 79953572
1-(2-bromo-4-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103474046
1-(2-chloro-4-fluorophenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103473957
1-(5-bromo-2-methoxyphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103473973
1-(5-chlorothiophen-2-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103474045
4-(2,5-dimethylphenyl)-3-hydroxybutanenitrile
CID 82075422
1-(2-fluoro-4,6-dimethylphenyl)-2-(2,2,3,3-tetrafluoropropoxy)ethanol
CID 106881222
1-(2-methyl-1,3-thiazol-4-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103474059
1-(1-methylpyrazol-3-yl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol
CID 103474078
1-(2,2,3,3-tetrafluoropropoxy)-3-(2,4,6-trimethylphenyl)propan-2-amine
CID 103474840

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
The IUPAC name of 1-(2,5-dimethylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol (CID 103474191) is 1-(2,5-dimethylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
The canonical SMILES for 1-(2,5-dimethylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol is Cc1ccc(C)c(CC(O)COCC(F)(F)C(F)F)c1.
What is the InChIKey of 1-(2,5-dimethylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
The InChIKey is MVGIEWRHNNCVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4O2/c1-9-3-4-10(2)11(5-9)6-12(19)7-20-8-14(17,18)13(15)16/h3-5,12-13,19H,6-8H2,1-2H3.
What are the key properties of 1-(2,5-dimethylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol?
1-(2,5-dimethylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol has a molecular weight of 294.29 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-3-(2,2,3,3-tetrafluoropropoxy)propan-2-ol is sourced from PubChem (CID 103474191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).