methyl 9-amino-2,7-difluorofluorene-9-carboxylate

C15H11F2NO2 — CID 14789757

IUPACmethyl 9-amino-2,7-difluorofluorene-9-carboxylate
SMILESCOC(=O)C1(N)c2cc(F)ccc2-c2ccc(F)cc21
InChIInChI=1S/C15H11F2NO2/c1-20-14(19)15(18)12-6-8(16)2-4-10(12)11-5-3-9(17)7-13(11)15/h2-7H,18H2,1H3
InChIKeyMZERXDTUTTVGQQ-UHFFFAOYSA-N
MW275.25 g/mol
LogP2.32
Rot. Bonds1

About methyl 9-amino-2,7-difluorofluorene-9-carboxylate

methyl 9-amino-2,7-difluorofluorene-9-carboxylate (PubChem CID 14789757) has the molecular formula C15H11F2NO2 and a molecular weight of 275.25 g/mol. Its IUPAC name is methyl 9-amino-2,7-difluorofluorene-9-carboxylate.

Molecular Properties

Compound Namemethyl 9-amino-2,7-difluorofluorene-9-carboxylate
PubChem CID14789757
Molecular FormulaC15H11F2NO2
Molecular Weight275.25 g/mol
Exact Mass275.08
IUPAC Namemethyl 9-amino-2,7-difluorofluorene-9-carboxylate
SMILESCOC(=O)C1(N)c2cc(F)ccc2-c2ccc(F)cc21
InChIInChI=1S/C15H11F2NO2/c1-20-14(19)15(18)12-6-8(16)2-4-10(12)11-5-3-9(17)7-13(11)15/h2-7H,18H2,1H3
InChIKeyMZERXDTUTTVGQQ-UHFFFAOYSA-N
XLogP2.32
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.25
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Amino-2,3-dihydro-1H-indene-1-carboxylic acid
CID 233810
methyl 2-amino-2,3-dihydro-1H-indene-2-carboxylate hydrochloride
CID 45074056
1-amino-2,3-dihydro-1H-indene-1-carboxylic acid hydrochloride
CID 45792443
9-Amino-9-fluorenecarboxylic acid
CID 233825
Ethyl 2-amino-2,3-dihydro-1H-indene-2-carboxylate
CID 10921653
methyl (2R)-2-amino-3,3-difluoro-2-phenylpropanoate
CID 156775040
Methyl 2-amino-2,2-diphenylacetate
CID 437123
1-Amino-1-indancarboxylic acid methyl ester HCl
CID 13953785
Methyl 2-amino-2-(2,5-difluorophenyl)propanoate hydrochloride
CID 47003383
Methyl 2-amino-2-(4-fluorophenyl)propanoate hydrochloride
CID 119031831
methyl 1-amino-4-fluoro-2,3-dihydro-1H-indene-1-carboxylate hydrochloride
CID 165670355
Methyl 2-amino-3,3,3-trifluoro-2-phenylpropanoate
CID 54772248

Frequently Asked Questions

What is the IUPAC name of methyl 9-amino-2,7-difluorofluorene-9-carboxylate?
The IUPAC name of methyl 9-amino-2,7-difluorofluorene-9-carboxylate (CID 14789757) is methyl 9-amino-2,7-difluorofluorene-9-carboxylate.
What is the SMILES notation for methyl 9-amino-2,7-difluorofluorene-9-carboxylate?
The canonical SMILES for methyl 9-amino-2,7-difluorofluorene-9-carboxylate is COC(=O)C1(N)c2cc(F)ccc2-c2ccc(F)cc21.
What is the InChIKey of methyl 9-amino-2,7-difluorofluorene-9-carboxylate?
The InChIKey is MZERXDTUTTVGQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO2/c1-20-14(19)15(18)12-6-8(16)2-4-10(12)11-5-3-9(17)7-13(11)15/h2-7H,18H2,1H3.
What are the key properties of methyl 9-amino-2,7-difluorofluorene-9-carboxylate?
methyl 9-amino-2,7-difluorofluorene-9-carboxylate has a molecular weight of 275.25 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 9-amino-2,7-difluorofluorene-9-carboxylate is sourced from PubChem (CID 14789757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).