propan-2-yl 2-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetate

C17H20FNO2 — CID 19741654

IUPACpropan-2-yl 2-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetate
SMILESCC(C)OC(=O)CC1CCCc2c1[nH]c1ccc(F)cc21
InChIInChI=1S/C17H20FNO2/c1-10(2)21-16(20)8-11-4-3-5-13-14-9-12(18)6-7-15(14)19-17(11)13/h6-7,9-11,19H,3-5,8H2,1-2H3
InChIKeyFOWUTXLDRUNQHN-UHFFFAOYSA-N
MW289.35 g/mol
LogP4.07
Rot. Bonds3

About propan-2-yl 2-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetate

propan-2-yl 2-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetate (PubChem CID 19741654) has the molecular formula C17H20FNO2 and a molecular weight of 289.35 g/mol. Its IUPAC name is propan-2-yl 2-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetate
PubChem CID19741654
Molecular FormulaC17H20FNO2
Molecular Weight289.35 g/mol
Exact Mass289.15
IUPAC Namepropan-2-yl 2-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetate
SMILESCC(C)OC(=O)CC1CCCc2c1[nH]c1ccc(F)cc21
InChIInChI=1S/C17H20FNO2/c1-10(2)21-16(20)8-11-4-3-5-13-14-9-12(18)6-7-15(14)19-17(11)13/h6-7,9-11,19H,3-5,8H2,1-2H3
InChIKeyFOWUTXLDRUNQHN-UHFFFAOYSA-N
XLogP4.07
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetate?
The IUPAC name of propan-2-yl 2-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetate (CID 19741654) is propan-2-yl 2-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetate?
The canonical SMILES for propan-2-yl 2-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetate is CC(C)OC(=O)CC1CCCc2c1[nH]c1ccc(F)cc21.
What is the InChIKey of propan-2-yl 2-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetate?
The InChIKey is FOWUTXLDRUNQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FNO2/c1-10(2)21-16(20)8-11-4-3-5-13-14-9-12(18)6-7-15(14)19-17(11)13/h6-7,9-11,19H,3-5,8H2,1-2H3.
What are the key properties of propan-2-yl 2-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetate?
propan-2-yl 2-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetate has a molecular weight of 289.35 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-1-yl)acetate is sourced from PubChem (CID 19741654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).