1,1,1-trifluoro-2-methyl-3-(3-methyl-5-propan-2-yl-8-tricyclo[4.2.1.01,4]nonanyl)propan-2-ol

C17H27F3O — CID 123175500

IUPAC1,1,1-trifluoro-2-methyl-3-(3-methyl-5-propan-2-yl-8-tricyclo[4.2.1.01,4]nonanyl)propan-2-ol
SMILESCC(C)C1C2CC(CC(C)(O)C(F)(F)F)C3(CC(C)C13)C2
InChIInChI=1S/C17H27F3O/c1-9(2)13-11-5-12(8-15(4,21)17(18,19)20)16(7-11)6-10(3)14(13)16/h9-14,21H,5-8H2,1-4H3
InChIKeySXBCMEAOLUQUKL-UHFFFAOYSA-N
MW304.40 g/mol
LogP4.64
Rot. Bonds3

About 1,1,1-trifluoro-2-methyl-3-(3-methyl-5-propan-2-yl-8-tricyclo[4.2.1.01,4]nonanyl)propan-2-ol

1,1,1-trifluoro-2-methyl-3-(3-methyl-5-propan-2-yl-8-tricyclo[4.2.1.01,4]nonanyl)propan-2-ol (PubChem CID 123175500) has the molecular formula C17H27F3O and a molecular weight of 304.40 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-methyl-3-(3-methyl-5-propan-2-yl-8-tricyclo[4.2.1.01,4]nonanyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-2-methyl-3-(3-methyl-5-propan-2-yl-8-tricyclo[4.2.1.01,4]nonanyl)propan-2-ol
PubChem CID123175500
Molecular FormulaC17H27F3O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name1,1,1-trifluoro-2-methyl-3-(3-methyl-5-propan-2-yl-8-tricyclo[4.2.1.01,4]nonanyl)propan-2-ol
SMILESCC(C)C1C2CC(CC(C)(O)C(F)(F)F)C3(CC(C)C13)C2
InChIInChI=1S/C17H27F3O/c1-9(2)13-11-5-12(8-15(4,21)17(18,19)20)16(7-11)6-10(3)14(13)16/h9-14,21H,5-8H2,1-4H3
InChIKeySXBCMEAOLUQUKL-UHFFFAOYSA-N
XLogP4.64
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-methyl-3-(3-methyl-5-propan-2-yl-8-tricyclo[4.2.1.01,4]nonanyl)propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-2-methyl-3-(3-methyl-5-propan-2-yl-8-tricyclo[4.2.1.01,4]nonanyl)propan-2-ol (CID 123175500) is 1,1,1-trifluoro-2-methyl-3-(3-methyl-5-propan-2-yl-8-tricyclo[4.2.1.01,4]nonanyl)propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-2-methyl-3-(3-methyl-5-propan-2-yl-8-tricyclo[4.2.1.01,4]nonanyl)propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-2-methyl-3-(3-methyl-5-propan-2-yl-8-tricyclo[4.2.1.01,4]nonanyl)propan-2-ol is CC(C)C1C2CC(CC(C)(O)C(F)(F)F)C3(CC(C)C13)C2.
What is the InChIKey of 1,1,1-trifluoro-2-methyl-3-(3-methyl-5-propan-2-yl-8-tricyclo[4.2.1.01,4]nonanyl)propan-2-ol?
The InChIKey is SXBCMEAOLUQUKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27F3O/c1-9(2)13-11-5-12(8-15(4,21)17(18,19)20)16(7-11)6-10(3)14(13)16/h9-14,21H,5-8H2,1-4H3.
What are the key properties of 1,1,1-trifluoro-2-methyl-3-(3-methyl-5-propan-2-yl-8-tricyclo[4.2.1.01,4]nonanyl)propan-2-ol?
1,1,1-trifluoro-2-methyl-3-(3-methyl-5-propan-2-yl-8-tricyclo[4.2.1.01,4]nonanyl)propan-2-ol has a molecular weight of 304.40 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-methyl-3-(3-methyl-5-propan-2-yl-8-tricyclo[4.2.1.01,4]nonanyl)propan-2-ol is sourced from PubChem (CID 123175500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).