(6-fluoro-7,10-dihydrobenzo[b]azulen-10-yl) 2,2-dimethylpropanoate

C19H19FO2 — CID 147859843

IUPAC(6-fluoro-7,10-dihydrobenzo[b]azulen-10-yl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1C2=C(C=C(F)CC=C2)c2ccccc21
InChIInChI=1S/C19H19FO2/c1-19(2,3)18(21)22-17-14-9-5-4-8-13(14)16-11-12(20)7-6-10-15(16)17/h4-6,8-11,17H,7H2,1-3H3
InChIKeyHWLVVZICSLQGFV-UHFFFAOYSA-N
MW298.36 g/mol
LogP4.90
Rot. Bonds1

About (6-fluoro-7,10-dihydrobenzo[b]azulen-10-yl) 2,2-dimethylpropanoate

(6-fluoro-7,10-dihydrobenzo[b]azulen-10-yl) 2,2-dimethylpropanoate (PubChem CID 147859843) has the molecular formula C19H19FO2 and a molecular weight of 298.36 g/mol. Its IUPAC name is (6-fluoro-7,10-dihydrobenzo[b]azulen-10-yl) 2,2-dimethylpropanoate.

Molecular Properties

Compound Name(6-fluoro-7,10-dihydrobenzo[b]azulen-10-yl) 2,2-dimethylpropanoate
PubChem CID147859843
Molecular FormulaC19H19FO2
Molecular Weight298.36 g/mol
Exact Mass298.14
IUPAC Name(6-fluoro-7,10-dihydrobenzo[b]azulen-10-yl) 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)OC1C2=C(C=C(F)CC=C2)c2ccccc21
InChIInChI=1S/C19H19FO2/c1-19(2,3)18(21)22-17-14-9-5-4-8-13(14)16-11-12(20)7-6-10-15(16)17/h4-6,8-11,17H,7H2,1-3H3
InChIKeyHWLVVZICSLQGFV-UHFFFAOYSA-N
XLogP4.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7H-benzo[b]phenalen-7-yl 2,2-dimethylpropanoate
CID 130411245
9H-fluoren-9-yl 2,2-dimethylbutanoate
CID 58031020
(3-methylidene-1,2-dihydroinden-1-yl) 2,2-dimethylpropanoate
CID 59868532
2,3-dihydro-1H-inden-1-yl 2,2-dimethylpropanoate
CID 10262840
6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl 2,2-dimethylpropanoate
CID 101012492
[1-(2,3-dihydro-1H-indol-3-yl)pyrrolidin-3-yl] 2,2-dimethylpropanoate
CID 174897582
[2-(2,2-dimethylpropanoyl)-3-oxo-1H-isoindol-1-yl] acetate
CID 102270417
9H-fluoren-9-yl (E)-3-(2-fluorophenyl)prop-2-enoate
CID 7485456
9H-fluoren-9-yl N-amino-N-methylcarbamate
CID 100991208
9H-fluoren-9-yl N-[(2S)-2-hydroxy-3,3-dimethylbutyl]carbamate
CID 132580669
3-O-tert-butyl 1-O-(7,10-dihydrobenzo[b]azulen-10-ylmethyl) (3S)-4-methylpyrrolidine-1,3-dicarboxylate
CID 143696512
(1-phenylpiperidin-4-yl) 2,2-dimethylpropanoate
CID 174723851

Frequently Asked Questions

What is the IUPAC name of (6-fluoro-7,10-dihydrobenzo[b]azulen-10-yl) 2,2-dimethylpropanoate?
The IUPAC name of (6-fluoro-7,10-dihydrobenzo[b]azulen-10-yl) 2,2-dimethylpropanoate (CID 147859843) is (6-fluoro-7,10-dihydrobenzo[b]azulen-10-yl) 2,2-dimethylpropanoate.
What is the SMILES notation for (6-fluoro-7,10-dihydrobenzo[b]azulen-10-yl) 2,2-dimethylpropanoate?
The canonical SMILES for (6-fluoro-7,10-dihydrobenzo[b]azulen-10-yl) 2,2-dimethylpropanoate is CC(C)(C)C(=O)OC1C2=C(C=C(F)CC=C2)c2ccccc21.
What is the InChIKey of (6-fluoro-7,10-dihydrobenzo[b]azulen-10-yl) 2,2-dimethylpropanoate?
The InChIKey is HWLVVZICSLQGFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FO2/c1-19(2,3)18(21)22-17-14-9-5-4-8-13(14)16-11-12(20)7-6-10-15(16)17/h4-6,8-11,17H,7H2,1-3H3.
What are the key properties of (6-fluoro-7,10-dihydrobenzo[b]azulen-10-yl) 2,2-dimethylpropanoate?
(6-fluoro-7,10-dihydrobenzo[b]azulen-10-yl) 2,2-dimethylpropanoate has a molecular weight of 298.36 g/mol, XLogP of 4.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-fluoro-7,10-dihydrobenzo[b]azulen-10-yl) 2,2-dimethylpropanoate is sourced from PubChem (CID 147859843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).