(1S,3R)-4,7-difluoro-3-methyl-2,3-dihydro-1H-inden-1-ol

C10H10F2O — CID 23234483

IUPAC(1S,3R)-4,7-difluoro-3-methyl-2,3-dihydro-1H-inden-1-ol
SMILESC[C@@H]1C[C@H](O)c2c(F)ccc(F)c21
InChIInChI=1S/C10H10F2O/c1-5-4-8(13)10-7(12)3-2-6(11)9(5)10/h2-3,5,8,13H,4H2,1H3/t5-,8+/m1/s1
InChIKeyVLNCFEDGTSGRLG-XRGYYRRGSA-N
MW184.19 g/mol
LogP2.51
Rot. Bonds

About (1S,3R)-4,7-difluoro-3-methyl-2,3-dihydro-1H-inden-1-ol

(1S,3R)-4,7-difluoro-3-methyl-2,3-dihydro-1H-inden-1-ol (PubChem CID 23234483) has the molecular formula C10H10F2O and a molecular weight of 184.19 g/mol. Its IUPAC name is (1S,3R)-4,7-difluoro-3-methyl-2,3-dihydro-1H-inden-1-ol.

Molecular Properties

Compound Name(1S,3R)-4,7-difluoro-3-methyl-2,3-dihydro-1H-inden-1-ol
PubChem CID23234483
Molecular FormulaC10H10F2O
Molecular Weight184.19 g/mol
Exact Mass184.07
IUPAC Name(1S,3R)-4,7-difluoro-3-methyl-2,3-dihydro-1H-inden-1-ol
SMILESC[C@@H]1C[C@H](O)c2c(F)ccc(F)c21
InChIInChI=1S/C10H10F2O/c1-5-4-8(13)10-7(12)3-2-6(11)9(5)10/h2-3,5,8,13H,4H2,1H3/t5-,8+/m1/s1
InChIKeyVLNCFEDGTSGRLG-XRGYYRRGSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,3R)-4,7-difluoro-3-methyl-2,3-dihydro-1H-inden-1-ol?
The IUPAC name of (1S,3R)-4,7-difluoro-3-methyl-2,3-dihydro-1H-inden-1-ol (CID 23234483) is (1S,3R)-4,7-difluoro-3-methyl-2,3-dihydro-1H-inden-1-ol.
What is the SMILES notation for (1S,3R)-4,7-difluoro-3-methyl-2,3-dihydro-1H-inden-1-ol?
The canonical SMILES for (1S,3R)-4,7-difluoro-3-methyl-2,3-dihydro-1H-inden-1-ol is C[C@@H]1C[C@H](O)c2c(F)ccc(F)c21.
What is the InChIKey of (1S,3R)-4,7-difluoro-3-methyl-2,3-dihydro-1H-inden-1-ol?
The InChIKey is VLNCFEDGTSGRLG-XRGYYRRGSA-N. The full InChI is InChI=1S/C10H10F2O/c1-5-4-8(13)10-7(12)3-2-6(11)9(5)10/h2-3,5,8,13H,4H2,1H3/t5-,8+/m1/s1.
What are the key properties of (1S,3R)-4,7-difluoro-3-methyl-2,3-dihydro-1H-inden-1-ol?
(1S,3R)-4,7-difluoro-3-methyl-2,3-dihydro-1H-inden-1-ol has a molecular weight of 184.19 g/mol, XLogP of 2.51, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,3R)-4,7-difluoro-3-methyl-2,3-dihydro-1H-inden-1-ol is sourced from PubChem (CID 23234483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).