2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol

C14H18ClF3O2 — CID 83958778

IUPAC2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol
SMILESCCOc1c(C(C)C)cc(Cl)cc1C(C)(O)C(F)(F)F
InChIInChI=1S/C14H18ClF3O2/c1-5-20-12-10(8(2)3)6-9(15)7-11(12)13(4,19)14(16,17)18/h6-8,19H,5H2,1-4H3
InChIKeyVIWZHAIILBUQHW-UHFFFAOYSA-N
MW310.74 g/mol
LogP4.63
Rot. Bonds4

About 2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol

2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol (PubChem CID 83958778) has the molecular formula C14H18ClF3O2 and a molecular weight of 310.74 g/mol. Its IUPAC name is 2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol
PubChem CID83958778
Molecular FormulaC14H18ClF3O2
Molecular Weight310.74 g/mol
Exact Mass310.09
IUPAC Name2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol
SMILESCCOc1c(C(C)C)cc(Cl)cc1C(C)(O)C(F)(F)F
InChIInChI=1S/C14H18ClF3O2/c1-5-20-12-10(8(2)3)6-9(15)7-11(12)13(4,19)14(16,17)18/h6-8,19H,5H2,1-4H3
InChIKeyVIWZHAIILBUQHW-UHFFFAOYSA-N
XLogP4.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,5-dichloro-2-ethoxyphenyl)-1,1,1-trifluoropropan-2-ol
CID 83959034
2-(3,5-dichloro-2-propoxyphenyl)-1,1,1-trifluoropropan-2-ol
CID 83959054
1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-2,2,2-trifluoroethanone
CID 83958798
1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-ol
CID 82265954
1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)ethanamine
CID 82265941
1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)prop-2-en-1-one
CID 83958793
3-chloro-1-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)propan-1-one
CID 82265933
5-chloro-2-ethoxy-1-pent-4-yn-2-yl-3-propan-2-ylbenzene
CID 83938841
4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)hexane-1,2-diol
CID 83938916
4-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)pentan-1-amine
CID 83938867
5-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)heptan-2-amine
CID 83938866
2-[3-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)butan-2-yl]propane-1,3-diamine
CID 83938859

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol (CID 83958778) is 2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol is CCOc1c(C(C)C)cc(Cl)cc1C(C)(O)C(F)(F)F.
What is the InChIKey of 2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is VIWZHAIILBUQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3O2/c1-5-20-12-10(8(2)3)6-9(15)7-11(12)13(4,19)14(16,17)18/h6-8,19H,5H2,1-4H3.
What are the key properties of 2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol?
2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 310.74 g/mol, XLogP of 4.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-ethoxy-3-propan-2-ylphenyl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 83958778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).