(1S,6R)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane

C10H10F6O — CID 58662945

IUPAC(1S,6R)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane
SMILESFC(F)(F)C1(C(F)(F)F)OC2C1[C@@H]1CC[C@H]2C1
InChIInChI=1S/C10H10F6O/c11-9(12,13)8(10(14,15)16)6-4-1-2-5(3-4)7(6)17-8/h4-7H,1-3H2/t4-,5+,6?,7?/m1/s1
InChIKeyANHOVJOCFLXECV-OZRTXJSJSA-N
MW260.18 g/mol
LogP3.29
Rot. Bonds

About (1S,6R)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane

(1S,6R)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane (PubChem CID 58662945) has the molecular formula C10H10F6O and a molecular weight of 260.18 g/mol. Its IUPAC name is (1S,6R)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane.

Molecular Properties

Compound Name(1S,6R)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane
PubChem CID58662945
Molecular FormulaC10H10F6O
Molecular Weight260.18 g/mol
Exact Mass260.06
IUPAC Name(1S,6R)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane
SMILESFC(F)(F)C1(C(F)(F)F)OC2C1[C@@H]1CC[C@H]2C1
InChIInChI=1S/C10H10F6O/c11-9(12,13)8(10(14,15)16)6-4-1-2-5(3-4)7(6)17-8/h4-7H,1-3H2/t4-,5+,6?,7?/m1/s1
InChIKeyANHOVJOCFLXECV-OZRTXJSJSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.18
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,6R)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane?
The IUPAC name of (1S,6R)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane (CID 58662945) is (1S,6R)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane.
What is the SMILES notation for (1S,6R)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane?
The canonical SMILES for (1S,6R)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane is FC(F)(F)C1(C(F)(F)F)OC2C1[C@@H]1CC[C@H]2C1.
What is the InChIKey of (1S,6R)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane?
The InChIKey is ANHOVJOCFLXECV-OZRTXJSJSA-N. The full InChI is InChI=1S/C10H10F6O/c11-9(12,13)8(10(14,15)16)6-4-1-2-5(3-4)7(6)17-8/h4-7H,1-3H2/t4-,5+,6?,7?/m1/s1.
What are the key properties of (1S,6R)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane?
(1S,6R)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane has a molecular weight of 260.18 g/mol, XLogP of 3.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,6R)-4,4-bis(trifluoromethyl)-3-oxatricyclo[4.2.1.02,5]nonane is sourced from PubChem (CID 58662945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).