methyl 2-[(9,9-difluoro-7-methylfluorene-3-carbonyl)amino]acetate

C18H15F2NO3 — CID 169198050

IUPACmethyl 2-[(9,9-difluoro-7-methylfluorene-3-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc2c(c1)-c1ccc(C)cc1C2(F)F
InChIInChI=1S/C18H15F2NO3/c1-10-3-5-12-13-8-11(17(23)21-9-16(22)24-2)4-6-14(13)18(19,20)15(12)7-10/h3-8H,9H2,1-2H3,(H,21,23)
InChIKeyPPTCKEFZNYPAJL-UHFFFAOYSA-N
MW331.32 g/mol
LogP3.02
Rot. Bonds3

About methyl 2-[(9,9-difluoro-7-methylfluorene-3-carbonyl)amino]acetate

methyl 2-[(9,9-difluoro-7-methylfluorene-3-carbonyl)amino]acetate (PubChem CID 169198050) has the molecular formula C18H15F2NO3 and a molecular weight of 331.32 g/mol. Its IUPAC name is methyl 2-[(9,9-difluoro-7-methylfluorene-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(9,9-difluoro-7-methylfluorene-3-carbonyl)amino]acetate
PubChem CID169198050
Molecular FormulaC18H15F2NO3
Molecular Weight331.32 g/mol
Exact Mass331.10
IUPAC Namemethyl 2-[(9,9-difluoro-7-methylfluorene-3-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc2c(c1)-c1ccc(C)cc1C2(F)F
InChIInChI=1S/C18H15F2NO3/c1-10-3-5-12-13-8-11(17(23)21-9-16(22)24-2)4-6-14(13)18(19,20)15(12)7-10/h3-8H,9H2,1-2H3,(H,21,23)
InChIKeyPPTCKEFZNYPAJL-UHFFFAOYSA-N
XLogP3.02
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.32
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-1-[2-[(9,9-difluoro-7-methylfluorene-3-carbonyl)amino]acetyl]-4-(methoxymethyl)pyrrolidine-2-carboxylic acid
CID 169198775
methyl 2-[(4-bromo-3-fluorobenzoyl)amino]acetate
CID 47421773
methyl 7,9,9-trifluorofluorene-3-carboxylate
CID 170296669
lithium;methyl 2-[(3-methyl-4-phenylbenzoyl)amino]acetate;2-[(3-methyl-4-phenylbenzoyl)amino]acetic acid;hydroxide
CID 158050233
methyl 2-[[4-[[4-fluoro-3-(trifluoromethyl)benzoyl]amino]benzoyl]amino]acetate
CID 60596590
methyl (2S)-1-[2-[(9,9-difluorofluorene-3-carbonyl)amino]acetyl]-4-methylidenepyrrolidine-2-carboxylate
CID 170296825
methyl 2-[(4-bromo-3-chlorobenzoyl)amino]acetate
CID 80954153
(2S,4R)-1-[2-[(9,9-difluorofluorene-3-carbonyl)amino]acetyl]-4-methoxypyrrolidine-2-carboxylic acid
CID 170299427
methyl 2-(1,3-dihydro-2-benzofuran-5-carbonylamino)acetate
CID 49192128
methyl (2S,4S)-1-[2-[(9,9-difluorofluorene-3-carbonyl)amino]acetyl]-4-(hydroxymethyl)-4-methylpyrrolidine-2-carboxylate
CID 170293366
methyl 2-[(3-hydroxybenzoyl)amino]acetate
CID 578046
methyl 2-[(2-fluoropyridine-4-carbonyl)amino]acetate
CID 61292675

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(9,9-difluoro-7-methylfluorene-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(9,9-difluoro-7-methylfluorene-3-carbonyl)amino]acetate (CID 169198050) is methyl 2-[(9,9-difluoro-7-methylfluorene-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(9,9-difluoro-7-methylfluorene-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(9,9-difluoro-7-methylfluorene-3-carbonyl)amino]acetate is COC(=O)CNC(=O)c1ccc2c(c1)-c1ccc(C)cc1C2(F)F.
What is the InChIKey of methyl 2-[(9,9-difluoro-7-methylfluorene-3-carbonyl)amino]acetate?
The InChIKey is PPTCKEFZNYPAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2NO3/c1-10-3-5-12-13-8-11(17(23)21-9-16(22)24-2)4-6-14(13)18(19,20)15(12)7-10/h3-8H,9H2,1-2H3,(H,21,23).
What are the key properties of methyl 2-[(9,9-difluoro-7-methylfluorene-3-carbonyl)amino]acetate?
methyl 2-[(9,9-difluoro-7-methylfluorene-3-carbonyl)amino]acetate has a molecular weight of 331.32 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(9,9-difluoro-7-methylfluorene-3-carbonyl)amino]acetate is sourced from PubChem (CID 169198050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).