6-bromo-4-fluoro-1-heptan-4-yl-2,2,7-trimethyl-3H-inden-1-ol

C19H28BrFO — CID 143203220

IUPAC6-bromo-4-fluoro-1-heptan-4-yl-2,2,7-trimethyl-3H-inden-1-ol
SMILESCCCC(CCC)C1(O)c2c(C)c(Br)cc(F)c2CC1(C)C
InChIInChI=1S/C19H28BrFO/c1-6-8-13(9-7-2)19(22)17-12(3)15(20)10-16(21)14(17)11-18(19,4)5/h10,13,22H,6-9,11H2,1-5H3
InChIKeyZEDKNZFCWCHVQW-UHFFFAOYSA-N
MW371.33 g/mol
LogP5.88
Rot. Bonds5

About 6-bromo-4-fluoro-1-heptan-4-yl-2,2,7-trimethyl-3H-inden-1-ol

6-bromo-4-fluoro-1-heptan-4-yl-2,2,7-trimethyl-3H-inden-1-ol (PubChem CID 143203220) has the molecular formula C19H28BrFO and a molecular weight of 371.33 g/mol. Its IUPAC name is 6-bromo-4-fluoro-1-heptan-4-yl-2,2,7-trimethyl-3H-inden-1-ol.

Molecular Properties

Compound Name6-bromo-4-fluoro-1-heptan-4-yl-2,2,7-trimethyl-3H-inden-1-ol
PubChem CID143203220
Molecular FormulaC19H28BrFO
Molecular Weight371.33 g/mol
Exact Mass370.13
IUPAC Name6-bromo-4-fluoro-1-heptan-4-yl-2,2,7-trimethyl-3H-inden-1-ol
SMILESCCCC(CCC)C1(O)c2c(C)c(Br)cc(F)c2CC1(C)C
InChIInChI=1S/C19H28BrFO/c1-6-8-13(9-7-2)19(22)17-12(3)15(20)10-16(21)14(17)11-18(19,4)5/h10,13,22H,6-9,11H2,1-5H3
InChIKeyZEDKNZFCWCHVQW-UHFFFAOYSA-N
XLogP5.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.33
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-fluoro-1-heptan-4-yl-2,2,7-trimethyl-3H-inden-1-ol?
The IUPAC name of 6-bromo-4-fluoro-1-heptan-4-yl-2,2,7-trimethyl-3H-inden-1-ol (CID 143203220) is 6-bromo-4-fluoro-1-heptan-4-yl-2,2,7-trimethyl-3H-inden-1-ol.
What is the SMILES notation for 6-bromo-4-fluoro-1-heptan-4-yl-2,2,7-trimethyl-3H-inden-1-ol?
The canonical SMILES for 6-bromo-4-fluoro-1-heptan-4-yl-2,2,7-trimethyl-3H-inden-1-ol is CCCC(CCC)C1(O)c2c(C)c(Br)cc(F)c2CC1(C)C.
What is the InChIKey of 6-bromo-4-fluoro-1-heptan-4-yl-2,2,7-trimethyl-3H-inden-1-ol?
The InChIKey is ZEDKNZFCWCHVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28BrFO/c1-6-8-13(9-7-2)19(22)17-12(3)15(20)10-16(21)14(17)11-18(19,4)5/h10,13,22H,6-9,11H2,1-5H3.
What are the key properties of 6-bromo-4-fluoro-1-heptan-4-yl-2,2,7-trimethyl-3H-inden-1-ol?
6-bromo-4-fluoro-1-heptan-4-yl-2,2,7-trimethyl-3H-inden-1-ol has a molecular weight of 371.33 g/mol, XLogP of 5.88, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-fluoro-1-heptan-4-yl-2,2,7-trimethyl-3H-inden-1-ol is sourced from PubChem (CID 143203220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).