(4R)-2,2-dimethyl-4-[2-(trifluoromethyl)phenyl]oxane

C14H17F3O — CID 67814317

IUPAC(4R)-2,2-dimethyl-4-[2-(trifluoromethyl)phenyl]oxane
SMILESCC1(C)C[C@H](c2ccccc2C(F)(F)F)CCO1
InChIInChI=1S/C14H17F3O/c1-13(2)9-10(7-8-18-13)11-5-3-4-6-12(11)14(15,16)17/h3-6,10H,7-9H2,1-2H3/t10-/m1/s1
InChIKeyHNUOXZRMBIFSSN-SNVBAGLBSA-N
MW258.28 g/mol
LogP4.38
Rot. Bonds1

About (4R)-2,2-dimethyl-4-[2-(trifluoromethyl)phenyl]oxane

(4R)-2,2-dimethyl-4-[2-(trifluoromethyl)phenyl]oxane (PubChem CID 67814317) has the molecular formula C14H17F3O and a molecular weight of 258.28 g/mol. Its IUPAC name is (4R)-2,2-dimethyl-4-[2-(trifluoromethyl)phenyl]oxane.

Molecular Properties

Compound Name(4R)-2,2-dimethyl-4-[2-(trifluoromethyl)phenyl]oxane
PubChem CID67814317
Molecular FormulaC14H17F3O
Molecular Weight258.28 g/mol
Exact Mass258.12
IUPAC Name(4R)-2,2-dimethyl-4-[2-(trifluoromethyl)phenyl]oxane
SMILESCC1(C)C[C@H](c2ccccc2C(F)(F)F)CCO1
InChIInChI=1S/C14H17F3O/c1-13(2)9-10(7-8-18-13)11-5-3-4-6-12(11)14(15,16)17/h3-6,10H,7-9H2,1-2H3/t10-/m1/s1
InChIKeyHNUOXZRMBIFSSN-SNVBAGLBSA-N
XLogP4.38
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-2,2-dimethyl-4-[2-(trifluoromethyl)phenyl]oxane?
The IUPAC name of (4R)-2,2-dimethyl-4-[2-(trifluoromethyl)phenyl]oxane (CID 67814317) is (4R)-2,2-dimethyl-4-[2-(trifluoromethyl)phenyl]oxane.
What is the SMILES notation for (4R)-2,2-dimethyl-4-[2-(trifluoromethyl)phenyl]oxane?
The canonical SMILES for (4R)-2,2-dimethyl-4-[2-(trifluoromethyl)phenyl]oxane is CC1(C)C[C@H](c2ccccc2C(F)(F)F)CCO1.
What is the InChIKey of (4R)-2,2-dimethyl-4-[2-(trifluoromethyl)phenyl]oxane?
The InChIKey is HNUOXZRMBIFSSN-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H17F3O/c1-13(2)9-10(7-8-18-13)11-5-3-4-6-12(11)14(15,16)17/h3-6,10H,7-9H2,1-2H3/t10-/m1/s1.
What are the key properties of (4R)-2,2-dimethyl-4-[2-(trifluoromethyl)phenyl]oxane?
(4R)-2,2-dimethyl-4-[2-(trifluoromethyl)phenyl]oxane has a molecular weight of 258.28 g/mol, XLogP of 4.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-2,2-dimethyl-4-[2-(trifluoromethyl)phenyl]oxane is sourced from PubChem (CID 67814317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).