(1R)-6-fluoro-3,3-dimethyl-1,2-dihydroinden-1-ol

C11H13FO — CID 79837861

IUPAC(1R)-6-fluoro-3,3-dimethyl-1,2-dihydroinden-1-ol
SMILESCC1(C)C[C@@H](O)c2cc(F)ccc21
InChIInChI=1S/C11H13FO/c1-11(2)6-10(13)8-5-7(12)3-4-9(8)11/h3-5,10,13H,6H2,1-2H3/t10-/m1/s1
InChIKeyUKSTWVPNRQORQJ-SNVBAGLBSA-N
MW180.22 g/mol
LogP2.54
Rot. Bonds

About (1R)-6-fluoro-3,3-dimethyl-1,2-dihydroinden-1-ol

(1R)-6-fluoro-3,3-dimethyl-1,2-dihydroinden-1-ol (PubChem CID 79837861) has the molecular formula C11H13FO and a molecular weight of 180.22 g/mol. Its IUPAC name is (1R)-6-fluoro-3,3-dimethyl-1,2-dihydroinden-1-ol.

Molecular Properties

Compound Name(1R)-6-fluoro-3,3-dimethyl-1,2-dihydroinden-1-ol
PubChem CID79837861
Molecular FormulaC11H13FO
Molecular Weight180.22 g/mol
Exact Mass180.10
IUPAC Name(1R)-6-fluoro-3,3-dimethyl-1,2-dihydroinden-1-ol
SMILESCC1(C)C[C@@H](O)c2cc(F)ccc21
InChIInChI=1S/C11H13FO/c1-11(2)6-10(13)8-5-7(12)3-4-9(8)11/h3-5,10,13H,6H2,1-2H3/t10-/m1/s1
InChIKeyUKSTWVPNRQORQJ-SNVBAGLBSA-N
XLogP2.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.22
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1R)-6-fluoro-3,3-dimethyl-1,2-dihydroinden-1-ol?
The IUPAC name of (1R)-6-fluoro-3,3-dimethyl-1,2-dihydroinden-1-ol (CID 79837861) is (1R)-6-fluoro-3,3-dimethyl-1,2-dihydroinden-1-ol.
What is the SMILES notation for (1R)-6-fluoro-3,3-dimethyl-1,2-dihydroinden-1-ol?
The canonical SMILES for (1R)-6-fluoro-3,3-dimethyl-1,2-dihydroinden-1-ol is CC1(C)C[C@@H](O)c2cc(F)ccc21.
What is the InChIKey of (1R)-6-fluoro-3,3-dimethyl-1,2-dihydroinden-1-ol?
The InChIKey is UKSTWVPNRQORQJ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H13FO/c1-11(2)6-10(13)8-5-7(12)3-4-9(8)11/h3-5,10,13H,6H2,1-2H3/t10-/m1/s1.
What are the key properties of (1R)-6-fluoro-3,3-dimethyl-1,2-dihydroinden-1-ol?
(1R)-6-fluoro-3,3-dimethyl-1,2-dihydroinden-1-ol has a molecular weight of 180.22 g/mol, XLogP of 2.54, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-fluoro-3,3-dimethyl-1,2-dihydroinden-1-ol is sourced from PubChem (CID 79837861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).