(1S)-4,6-difluoro-3,3-dimethyl-1,2-dihydroinden-1-ol

C11H12F2O — CID 79838246

IUPAC(1S)-4,6-difluoro-3,3-dimethyl-1,2-dihydroinden-1-ol
SMILESCC1(C)C[C@H](O)c2cc(F)cc(F)c21
InChIInChI=1S/C11H12F2O/c1-11(2)5-9(14)7-3-6(12)4-8(13)10(7)11/h3-4,9,14H,5H2,1-2H3/t9-/m0/s1
InChIKeyJCRICXOTLIUOCC-VIFPVBQESA-N
MW198.21 g/mol
LogP2.68
Rot. Bonds

About (1S)-4,6-difluoro-3,3-dimethyl-1,2-dihydroinden-1-ol

(1S)-4,6-difluoro-3,3-dimethyl-1,2-dihydroinden-1-ol (PubChem CID 79838246) has the molecular formula C11H12F2O and a molecular weight of 198.21 g/mol. Its IUPAC name is (1S)-4,6-difluoro-3,3-dimethyl-1,2-dihydroinden-1-ol.

Molecular Properties

Compound Name(1S)-4,6-difluoro-3,3-dimethyl-1,2-dihydroinden-1-ol
PubChem CID79838246
Molecular FormulaC11H12F2O
Molecular Weight198.21 g/mol
Exact Mass198.09
IUPAC Name(1S)-4,6-difluoro-3,3-dimethyl-1,2-dihydroinden-1-ol
SMILESCC1(C)C[C@H](O)c2cc(F)cc(F)c21
InChIInChI=1S/C11H12F2O/c1-11(2)5-9(14)7-3-6(12)4-8(13)10(7)11/h3-4,9,14H,5H2,1-2H3/t9-/m0/s1
InChIKeyJCRICXOTLIUOCC-VIFPVBQESA-N
XLogP2.68
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-6-fluoro-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837861
4,6,7-trifluoro-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 103304622
(1R)-3,3,4,6-tetramethyl-1,2-dihydroinden-1-ol
CID 79838530
(1R)-4,6-dichloro-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837769
1,1,5-trimethyl-2,3-dihydrocyclopenta[a]naphthalen-3-ol
CID 79837865
(1R)-4,6-dimethoxy-3,3-dimethyl-1,2-dihydroinden-1-ol
CID 79837577
3-fluoro-7,7-dimethyl-5,6,8,9-tetrahydrobenzo[7]annulen-5-ol
CID 62934544
(4R)-6-fluoro-2,2-dimethyl-3,4-dihydrochromen-4-ol
CID 10888842
1-bromo-4,6-difluoro-3,3,7-trimethyl-1,2-dihydroindene
CID 79838360
3-(2,4-difluorophenyl)-2-methyloxiran-2-ol
CID 57033159
8-methyl-3-(2,4,6-trifluorophenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171962515
4,6-difluoro-2-methyl-2,3-dihydro-1H-inden-1-ol
CID 79726126

Frequently Asked Questions

What is the IUPAC name of (1S)-4,6-difluoro-3,3-dimethyl-1,2-dihydroinden-1-ol?
The IUPAC name of (1S)-4,6-difluoro-3,3-dimethyl-1,2-dihydroinden-1-ol (CID 79838246) is (1S)-4,6-difluoro-3,3-dimethyl-1,2-dihydroinden-1-ol.
What is the SMILES notation for (1S)-4,6-difluoro-3,3-dimethyl-1,2-dihydroinden-1-ol?
The canonical SMILES for (1S)-4,6-difluoro-3,3-dimethyl-1,2-dihydroinden-1-ol is CC1(C)C[C@H](O)c2cc(F)cc(F)c21.
What is the InChIKey of (1S)-4,6-difluoro-3,3-dimethyl-1,2-dihydroinden-1-ol?
The InChIKey is JCRICXOTLIUOCC-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12F2O/c1-11(2)5-9(14)7-3-6(12)4-8(13)10(7)11/h3-4,9,14H,5H2,1-2H3/t9-/m0/s1.
What are the key properties of (1S)-4,6-difluoro-3,3-dimethyl-1,2-dihydroinden-1-ol?
(1S)-4,6-difluoro-3,3-dimethyl-1,2-dihydroinden-1-ol has a molecular weight of 198.21 g/mol, XLogP of 2.68, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-4,6-difluoro-3,3-dimethyl-1,2-dihydroinden-1-ol is sourced from PubChem (CID 79838246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).