(4S,6R)-9,9-bis(trifluoromethyl)-8-oxatetracyclo[4.3.0.02,4.03,7]nonane

C10H8F6O — CID 59431296

IUPAC(4S,6R)-9,9-bis(trifluoromethyl)-8-oxatetracyclo[4.3.0.02,4.03,7]nonane
SMILESFC(F)(F)C1(C(F)(F)F)OC2C3C4C[C@@H]2C1C43
InChIInChI=1S/C10H8F6O/c11-9(12,13)8(10(14,15)16)6-3-1-2-4(6)5(2)7(3)17-8/h2-7H,1H2/t2?,3-,4?,5?,6?,7?/m1/s1
InChIKeyXYQXDKGEDXRMIS-CIXXMWBBSA-N
MW258.16 g/mol
LogP2.76
Rot. Bonds

About (4S,6R)-9,9-bis(trifluoromethyl)-8-oxatetracyclo[4.3.0.02,4.03,7]nonane

(4S,6R)-9,9-bis(trifluoromethyl)-8-oxatetracyclo[4.3.0.02,4.03,7]nonane (PubChem CID 59431296) has the molecular formula C10H8F6O and a molecular weight of 258.16 g/mol. Its IUPAC name is (4S,6R)-9,9-bis(trifluoromethyl)-8-oxatetracyclo[4.3.0.02,4.03,7]nonane.

Molecular Properties

Compound Name(4S,6R)-9,9-bis(trifluoromethyl)-8-oxatetracyclo[4.3.0.02,4.03,7]nonane
PubChem CID59431296
Molecular FormulaC10H8F6O
Molecular Weight258.16 g/mol
Exact Mass258.05
IUPAC Name(4S,6R)-9,9-bis(trifluoromethyl)-8-oxatetracyclo[4.3.0.02,4.03,7]nonane
SMILESFC(F)(F)C1(C(F)(F)F)OC2C3C4C[C@@H]2C1C43
InChIInChI=1S/C10H8F6O/c11-9(12,13)8(10(14,15)16)6-3-1-2-4(6)5(2)7(3)17-8/h2-7H,1H2/t2?,3-,4?,5?,6?,7?/m1/s1
InChIKeyXYQXDKGEDXRMIS-CIXXMWBBSA-N
XLogP2.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.16
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4S,6R)-9,9-bis(trifluoromethyl)-8-oxatetracyclo[4.3.0.02,4.03,7]nonane?
The IUPAC name of (4S,6R)-9,9-bis(trifluoromethyl)-8-oxatetracyclo[4.3.0.02,4.03,7]nonane (CID 59431296) is (4S,6R)-9,9-bis(trifluoromethyl)-8-oxatetracyclo[4.3.0.02,4.03,7]nonane.
What is the SMILES notation for (4S,6R)-9,9-bis(trifluoromethyl)-8-oxatetracyclo[4.3.0.02,4.03,7]nonane?
The canonical SMILES for (4S,6R)-9,9-bis(trifluoromethyl)-8-oxatetracyclo[4.3.0.02,4.03,7]nonane is FC(F)(F)C1(C(F)(F)F)OC2C3C4C[C@@H]2C1C43.
What is the InChIKey of (4S,6R)-9,9-bis(trifluoromethyl)-8-oxatetracyclo[4.3.0.02,4.03,7]nonane?
The InChIKey is XYQXDKGEDXRMIS-CIXXMWBBSA-N. The full InChI is InChI=1S/C10H8F6O/c11-9(12,13)8(10(14,15)16)6-3-1-2-4(6)5(2)7(3)17-8/h2-7H,1H2/t2?,3-,4?,5?,6?,7?/m1/s1.
What are the key properties of (4S,6R)-9,9-bis(trifluoromethyl)-8-oxatetracyclo[4.3.0.02,4.03,7]nonane?
(4S,6R)-9,9-bis(trifluoromethyl)-8-oxatetracyclo[4.3.0.02,4.03,7]nonane has a molecular weight of 258.16 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-9,9-bis(trifluoromethyl)-8-oxatetracyclo[4.3.0.02,4.03,7]nonane is sourced from PubChem (CID 59431296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).