2,3-dimethyl-5-(3,3,3-trifluoro-2-methyl-2-propan-2-yloxypropyl)bicyclo[2.2.1]heptane

C16H27F3O — CID 58205815

IUPAC2,3-dimethyl-5-(3,3,3-trifluoro-2-methyl-2-propan-2-yloxypropyl)bicyclo[2.2.1]heptane
SMILESCC(C)OC(C)(CC1CC2CC1C(C)C2C)C(F)(F)F
InChIInChI=1S/C16H27F3O/c1-9(2)20-15(5,16(17,18)19)8-13-6-12-7-14(13)11(4)10(12)3/h9-14H,6-8H2,1-5H3
InChIKeyZVANIJFPMQRVOZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP5.05
Rot. Bonds4

About 2,3-dimethyl-5-(3,3,3-trifluoro-2-methyl-2-propan-2-yloxypropyl)bicyclo[2.2.1]heptane

2,3-dimethyl-5-(3,3,3-trifluoro-2-methyl-2-propan-2-yloxypropyl)bicyclo[2.2.1]heptane (PubChem CID 58205815) has the molecular formula C16H27F3O and a molecular weight of 292.38 g/mol. Its IUPAC name is 2,3-dimethyl-5-(3,3,3-trifluoro-2-methyl-2-propan-2-yloxypropyl)bicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2,3-dimethyl-5-(3,3,3-trifluoro-2-methyl-2-propan-2-yloxypropyl)bicyclo[2.2.1]heptane
PubChem CID58205815
Molecular FormulaC16H27F3O
Molecular Weight292.38 g/mol
Exact Mass292.20
IUPAC Name2,3-dimethyl-5-(3,3,3-trifluoro-2-methyl-2-propan-2-yloxypropyl)bicyclo[2.2.1]heptane
SMILESCC(C)OC(C)(CC1CC2CC1C(C)C2C)C(F)(F)F
InChIInChI=1S/C16H27F3O/c1-9(2)20-15(5,16(17,18)19)8-13-6-12-7-14(13)11(4)10(12)3/h9-14H,6-8H2,1-5H3
InChIKeyZVANIJFPMQRVOZ-UHFFFAOYSA-N
XLogP5.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.38
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-5-(3,3,3-trifluoro-2-methyl-2-propan-2-yloxypropyl)bicyclo[2.2.1]heptane?
The IUPAC name of 2,3-dimethyl-5-(3,3,3-trifluoro-2-methyl-2-propan-2-yloxypropyl)bicyclo[2.2.1]heptane (CID 58205815) is 2,3-dimethyl-5-(3,3,3-trifluoro-2-methyl-2-propan-2-yloxypropyl)bicyclo[2.2.1]heptane.
What is the SMILES notation for 2,3-dimethyl-5-(3,3,3-trifluoro-2-methyl-2-propan-2-yloxypropyl)bicyclo[2.2.1]heptane?
The canonical SMILES for 2,3-dimethyl-5-(3,3,3-trifluoro-2-methyl-2-propan-2-yloxypropyl)bicyclo[2.2.1]heptane is CC(C)OC(C)(CC1CC2CC1C(C)C2C)C(F)(F)F.
What is the InChIKey of 2,3-dimethyl-5-(3,3,3-trifluoro-2-methyl-2-propan-2-yloxypropyl)bicyclo[2.2.1]heptane?
The InChIKey is ZVANIJFPMQRVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27F3O/c1-9(2)20-15(5,16(17,18)19)8-13-6-12-7-14(13)11(4)10(12)3/h9-14H,6-8H2,1-5H3.
What are the key properties of 2,3-dimethyl-5-(3,3,3-trifluoro-2-methyl-2-propan-2-yloxypropyl)bicyclo[2.2.1]heptane?
2,3-dimethyl-5-(3,3,3-trifluoro-2-methyl-2-propan-2-yloxypropyl)bicyclo[2.2.1]heptane has a molecular weight of 292.38 g/mol, XLogP of 5.05, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-5-(3,3,3-trifluoro-2-methyl-2-propan-2-yloxypropyl)bicyclo[2.2.1]heptane is sourced from PubChem (CID 58205815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).