4,6,7-trifluoro-3,3-dimethyl-1,2-dihydroinden-1-ol

C11H11F3O — CID 103304622

IUPAC4,6,7-trifluoro-3,3-dimethyl-1,2-dihydroinden-1-ol
SMILESCC1(C)CC(O)c2c(F)c(F)cc(F)c21
InChIInChI=1S/C11H11F3O/c1-11(2)4-7(15)8-9(11)5(12)3-6(13)10(8)14/h3,7,15H,4H2,1-2H3
InChIKeyDXAXANZJWUTBFO-UHFFFAOYSA-N
MW216.20 g/mol
LogP2.82
Rot. Bonds

About 4,6,7-trifluoro-3,3-dimethyl-1,2-dihydroinden-1-ol

4,6,7-trifluoro-3,3-dimethyl-1,2-dihydroinden-1-ol (PubChem CID 103304622) has the molecular formula C11H11F3O and a molecular weight of 216.20 g/mol. Its IUPAC name is 4,6,7-trifluoro-3,3-dimethyl-1,2-dihydroinden-1-ol.

Molecular Properties

Compound Name4,6,7-trifluoro-3,3-dimethyl-1,2-dihydroinden-1-ol
PubChem CID103304622
Molecular FormulaC11H11F3O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name4,6,7-trifluoro-3,3-dimethyl-1,2-dihydroinden-1-ol
SMILESCC1(C)CC(O)c2c(F)c(F)cc(F)c21
InChIInChI=1S/C11H11F3O/c1-11(2)4-7(15)8-9(11)5(12)3-6(13)10(8)14/h3,7,15H,4H2,1-2H3
InChIKeyDXAXANZJWUTBFO-UHFFFAOYSA-N
XLogP2.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,6,7-trifluoro-3,3-dimethyl-1,2-dihydroinden-1-ol?
The IUPAC name of 4,6,7-trifluoro-3,3-dimethyl-1,2-dihydroinden-1-ol (CID 103304622) is 4,6,7-trifluoro-3,3-dimethyl-1,2-dihydroinden-1-ol.
What is the SMILES notation for 4,6,7-trifluoro-3,3-dimethyl-1,2-dihydroinden-1-ol?
The canonical SMILES for 4,6,7-trifluoro-3,3-dimethyl-1,2-dihydroinden-1-ol is CC1(C)CC(O)c2c(F)c(F)cc(F)c21.
What is the InChIKey of 4,6,7-trifluoro-3,3-dimethyl-1,2-dihydroinden-1-ol?
The InChIKey is DXAXANZJWUTBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O/c1-11(2)4-7(15)8-9(11)5(12)3-6(13)10(8)14/h3,7,15H,4H2,1-2H3.
What are the key properties of 4,6,7-trifluoro-3,3-dimethyl-1,2-dihydroinden-1-ol?
4,6,7-trifluoro-3,3-dimethyl-1,2-dihydroinden-1-ol has a molecular weight of 216.20 g/mol, XLogP of 2.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6,7-trifluoro-3,3-dimethyl-1,2-dihydroinden-1-ol is sourced from PubChem (CID 103304622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).