methyl 2-(3-fluoroanilino)-2-(oxan-3-yl)acetate

C14H18FNO3 — CID 63740597

IUPACmethyl 2-(3-fluoroanilino)-2-(oxan-3-yl)acetate
SMILESCOC(=O)C(Nc1cccc(F)c1)C1CCCOC1
InChIInChI=1S/C14H18FNO3/c1-18-14(17)13(10-4-3-7-19-9-10)16-12-6-2-5-11(15)8-12/h2,5-6,8,10,13,16H,3-4,7,9H2,1H3
InChIKeyGNXVWKGCXOZKCA-UHFFFAOYSA-N
MW267.30 g/mol
LogP2.21
Rot. Bonds4

About methyl 2-(3-fluoroanilino)-2-(oxan-3-yl)acetate

methyl 2-(3-fluoroanilino)-2-(oxan-3-yl)acetate (PubChem CID 63740597) has the molecular formula C14H18FNO3 and a molecular weight of 267.30 g/mol. Its IUPAC name is methyl 2-(3-fluoroanilino)-2-(oxan-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(3-fluoroanilino)-2-(oxan-3-yl)acetate
PubChem CID63740597
Molecular FormulaC14H18FNO3
Molecular Weight267.30 g/mol
Exact Mass267.13
IUPAC Namemethyl 2-(3-fluoroanilino)-2-(oxan-3-yl)acetate
SMILESCOC(=O)C(Nc1cccc(F)c1)C1CCCOC1
InChIInChI=1S/C14H18FNO3/c1-18-14(17)13(10-4-3-7-19-9-10)16-12-6-2-5-11(15)8-12/h2,5-6,8,10,13,16H,3-4,7,9H2,1H3
InChIKeyGNXVWKGCXOZKCA-UHFFFAOYSA-N
XLogP2.21
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(3-fluoro-5-methylanilino)-2-(oxolan-3-yl)acetate
CID 79049491
2-(3-fluoroanilino)-2-(oxan-4-yl)acetic acid
CID 62384897
methyl 2-(4-methoxyanilino)-2-(oxolan-3-yl)acetate
CID 54889486
methyl 2-(4-chloroanilino)-2-(oxolan-3-yl)acetate
CID 54890745
methyl 2-anilino-2-(oxan-4-yl)acetate
CID 62386905
2-(3-methoxyanilino)-2-(oxolan-3-yl)acetic acid
CID 54890217
methyl 2-cyclopropyl-2-[3-(1,1-difluoroethyl)anilino]acetate
CID 167814164
N-cyclohexyl-2-(3-fluoroanilino)propanamide
CID 43083427
methyl 2-(2-bromoanilino)-2-(oxolan-3-yl)acetate
CID 54890349
2-(3-chloroanilino)-2-(oxolan-3-yl)acetamide
CID 54892109
N-(3-fluorophenyl)-2-(oxan-3-yl)acetamide
CID 110862725
methyl 2-(4-fluoroanilino)-2-(oxolan-2-yl)acetate
CID 82836869

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-fluoroanilino)-2-(oxan-3-yl)acetate?
The IUPAC name of methyl 2-(3-fluoroanilino)-2-(oxan-3-yl)acetate (CID 63740597) is methyl 2-(3-fluoroanilino)-2-(oxan-3-yl)acetate.
What is the SMILES notation for methyl 2-(3-fluoroanilino)-2-(oxan-3-yl)acetate?
The canonical SMILES for methyl 2-(3-fluoroanilino)-2-(oxan-3-yl)acetate is COC(=O)C(Nc1cccc(F)c1)C1CCCOC1.
What is the InChIKey of methyl 2-(3-fluoroanilino)-2-(oxan-3-yl)acetate?
The InChIKey is GNXVWKGCXOZKCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3/c1-18-14(17)13(10-4-3-7-19-9-10)16-12-6-2-5-11(15)8-12/h2,5-6,8,10,13,16H,3-4,7,9H2,1H3.
What are the key properties of methyl 2-(3-fluoroanilino)-2-(oxan-3-yl)acetate?
methyl 2-(3-fluoroanilino)-2-(oxan-3-yl)acetate has a molecular weight of 267.30 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-fluoroanilino)-2-(oxan-3-yl)acetate is sourced from PubChem (CID 63740597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).