2-(3,5-dimethyl-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol

C14H19F3O2 — CID 83959162

IUPAC2-(3,5-dimethyl-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol
SMILESCCCOc1c(C)cc(C)cc1C(C)(O)C(F)(F)F
InChIInChI=1S/C14H19F3O2/c1-5-6-19-12-10(3)7-9(2)8-11(12)13(4,18)14(15,16)17/h7-8,18H,5-6H2,1-4H3
InChIKeyYNXIKTCFDQWYDR-UHFFFAOYSA-N
MW276.30 g/mol
LogP3.86
Rot. Bonds4

About 2-(3,5-dimethyl-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol

2-(3,5-dimethyl-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol (PubChem CID 83959162) has the molecular formula C14H19F3O2 and a molecular weight of 276.30 g/mol. Its IUPAC name is 2-(3,5-dimethyl-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-(3,5-dimethyl-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol
PubChem CID83959162
Molecular FormulaC14H19F3O2
Molecular Weight276.30 g/mol
Exact Mass276.13
IUPAC Name2-(3,5-dimethyl-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol
SMILESCCCOc1c(C)cc(C)cc1C(C)(O)C(F)(F)F
InChIInChI=1S/C14H19F3O2/c1-5-6-19-12-10(3)7-9(2)8-11(12)13(4,18)14(15,16)17/h7-8,18H,5-6H2,1-4H3
InChIKeyYNXIKTCFDQWYDR-UHFFFAOYSA-N
XLogP3.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dichloro-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol
CID 83959054
1,1,1-trifluoro-2-(2-fluoro-4,5-dipropoxyphenyl)propan-2-ol
CID 83949980
1-chloro-5-methyl-2-propoxy-3-(trifluoromethyl)benzene
CID 146247201
1,1,1-trifluoro-2-[2-propoxy-5-(trifluoromethyl)phenyl]propan-2-ol
CID 83949751
2-methyl-4-(2,4,6-trimethylphenoxy)butan-2-ol
CID 79360580
2-(3,5-dimethyl-2-propoxyphenyl)ethanamine
CID 82053274
3-(3,5-dimethyl-2-propoxyphenyl)propanoic acid
CID 82053234
2-[2,5-dimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 58543613
5-(3,5-dimethyl-2-propoxyphenyl)pentan-2-one
CID 83942149
1-(3,5-dimethyl-2-propoxyphenyl)hexane-3,4-diol
CID 83942267
2-(3,5-dichloro-2-ethoxyphenyl)-1,1,1-trifluoropropan-2-ol
CID 83959034
2-(2,5-dimethyl-4-propoxyphenyl)-1,1,1-trifluorobutan-2-ol
CID 83959004

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-(3,5-dimethyl-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol (CID 83959162) is 2-(3,5-dimethyl-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-(3,5-dimethyl-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-(3,5-dimethyl-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol is CCCOc1c(C)cc(C)cc1C(C)(O)C(F)(F)F.
What is the InChIKey of 2-(3,5-dimethyl-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is YNXIKTCFDQWYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3O2/c1-5-6-19-12-10(3)7-9(2)8-11(12)13(4,18)14(15,16)17/h7-8,18H,5-6H2,1-4H3.
What are the key properties of 2-(3,5-dimethyl-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol?
2-(3,5-dimethyl-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 276.30 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 83959162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).