methyl 2-amino-9,9-difluorofluorene-3-carboxylate

C15H11F2NO2 — CID 164562157

IUPACmethyl 2-amino-9,9-difluorofluorene-3-carboxylate
SMILESCOC(=O)c1cc2c(cc1N)C(F)(F)c1ccccc1-2
InChIInChI=1S/C15H11F2NO2/c1-20-14(19)10-6-9-8-4-2-3-5-11(8)15(16,17)12(9)7-13(10)18/h2-7H,18H2,1H3
InChIKeyYKZVLNGZOVCWDQ-UHFFFAOYSA-N
MW275.25 g/mol
LogP3.18
Rot. Bonds1

About methyl 2-amino-9,9-difluorofluorene-3-carboxylate

methyl 2-amino-9,9-difluorofluorene-3-carboxylate (PubChem CID 164562157) has the molecular formula C15H11F2NO2 and a molecular weight of 275.25 g/mol. Its IUPAC name is methyl 2-amino-9,9-difluorofluorene-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-9,9-difluorofluorene-3-carboxylate
PubChem CID164562157
Molecular FormulaC15H11F2NO2
Molecular Weight275.25 g/mol
Exact Mass275.08
IUPAC Namemethyl 2-amino-9,9-difluorofluorene-3-carboxylate
SMILESCOC(=O)c1cc2c(cc1N)C(F)(F)c1ccccc1-2
InChIInChI=1S/C15H11F2NO2/c1-20-14(19)10-6-9-8-4-2-3-5-11(8)15(16,17)12(9)7-13(10)18/h2-7H,18H2,1H3
InChIKeyYKZVLNGZOVCWDQ-UHFFFAOYSA-N
XLogP3.18
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 ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

methyl 2-amino-4-methyl-5-phenylbenzoate
CID 113445321
methyl 2,4-diamino-5-fluorobenzoate
CID 171030778
methyl 2-amino-5-(2-fluorophenyl)benzoate
CID 82572889
dimethyl 4,5-diaminobenzene-1,2-dicarboxylate
CID 14574480
methyl 2-amino-4-phenylbenzoate
CID 53412316
1-(9,9-difluorofluoren-2-yl)ethanone
CID 145082433
methyl 7,9,9-trifluorofluorene-3-carboxylate
CID 170296669
methyl 2-amino-3-(2-amino-3-methoxycarbonylphenyl)benzoate
CID 167435975
methyl 4-amino-2-phenylbenzoate
CID 15406988
methyl 2-amino-5-(4-aminophenyl)-4-(trifluoromethyl)benzoate
CID 67976976
dimethyl 4-amino-6-chlorobenzene-1,3-dicarboxylate
CID 10824163
methyl 5-(3-aminophenyl)-2-fluoro-4-methylbenzoate
CID 171905843

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-9,9-difluorofluorene-3-carboxylate?
The IUPAC name of methyl 2-amino-9,9-difluorofluorene-3-carboxylate (CID 164562157) is methyl 2-amino-9,9-difluorofluorene-3-carboxylate.
What is the SMILES notation for methyl 2-amino-9,9-difluorofluorene-3-carboxylate?
The canonical SMILES for methyl 2-amino-9,9-difluorofluorene-3-carboxylate is COC(=O)c1cc2c(cc1N)C(F)(F)c1ccccc1-2.
What is the InChIKey of methyl 2-amino-9,9-difluorofluorene-3-carboxylate?
The InChIKey is YKZVLNGZOVCWDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2NO2/c1-20-14(19)10-6-9-8-4-2-3-5-11(8)15(16,17)12(9)7-13(10)18/h2-7H,18H2,1H3.
What are the key properties of methyl 2-amino-9,9-difluorofluorene-3-carboxylate?
methyl 2-amino-9,9-difluorofluorene-3-carboxylate has a molecular weight of 275.25 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-9,9-difluorofluorene-3-carboxylate is sourced from PubChem (CID 164562157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).