2,4-difluoroaniline;propan-2-yl formate

C10H13F2NO2 — CID 174299671

IUPAC2,4-difluoroaniline;propan-2-yl formate
SMILESCC(C)OC=O.Nc1ccc(F)cc1F
InChIInChI=1S/C6H5F2N.C4H8O2/c7-4-1-2-6(9)5(8)3-4;1-4(2)6-3-5/h1-3H,9H2;3-4H,1-2H3
InChIKeyCOGHGAVWQRTASP-UHFFFAOYSA-N
MW217.22 g/mol
LogP2.11
Rot. Bonds2

About 2,4-difluoroaniline;propan-2-yl formate

2,4-difluoroaniline;propan-2-yl formate (PubChem CID 174299671) has the molecular formula C10H13F2NO2 and a molecular weight of 217.22 g/mol. Its IUPAC name is 2,4-difluoroaniline;propan-2-yl formate.

Molecular Properties

Compound Name2,4-difluoroaniline;propan-2-yl formate
PubChem CID174299671
Molecular FormulaC10H13F2NO2
Molecular Weight217.22 g/mol
Exact Mass217.09
IUPAC Name2,4-difluoroaniline;propan-2-yl formate
SMILESCC(C)OC=O.Nc1ccc(F)cc1F
InChIInChI=1S/C6H5F2N.C4H8O2/c7-4-1-2-6(9)5(8)3-4;1-4(2)6-3-5/h1-3H,9H2;3-4H,1-2H3
InChIKeyCOGHGAVWQRTASP-UHFFFAOYSA-N
XLogP2.11
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4-difluoroaniline;methane
CID 155026278
2,4-difluoroaniline;hydrofluoride
CID 170944018
4-fluoro-2-[[methyl(2-propan-2-yloxyethyl)amino]methyl]aniline
CID 81059061
2-(2,4-difluorophenoxy)-5-fluoro-4-propan-2-yloxyaniline
CID 63593349
N-(2-amino-5-fluorophenyl)-2-propan-2-yloxyethanesulfonamide
CID 79594056
(Z)-2-(2-amino-5-fluorophenyl)but-2-enal
CID 143644911
3-chloro-4-fluoroaniline;2,4-difluoroaniline
CID 161411905
4-fluoro-2-N-methyl-2-N-(2-propan-2-yloxyethyl)benzene-1,2-diamine
CID 81058264
4-fluoro-2-(4-methylpentoxy)aniline
CID 62377671
2-fluoro-4-(5-fluoro-2-methoxyphenyl)aniline
CID 54912635
4-fluoro-2-[(Z)-4-methylpent-2-en-3-yl]oxyaniline
CID 139377476
2,5-difluoroaniline;ethane
CID 143759951

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoroaniline;propan-2-yl formate?
The IUPAC name of 2,4-difluoroaniline;propan-2-yl formate (CID 174299671) is 2,4-difluoroaniline;propan-2-yl formate.
What is the SMILES notation for 2,4-difluoroaniline;propan-2-yl formate?
The canonical SMILES for 2,4-difluoroaniline;propan-2-yl formate is CC(C)OC=O.Nc1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoroaniline;propan-2-yl formate?
The InChIKey is COGHGAVWQRTASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F2N.C4H8O2/c7-4-1-2-6(9)5(8)3-4;1-4(2)6-3-5/h1-3H,9H2;3-4H,1-2H3.
What are the key properties of 2,4-difluoroaniline;propan-2-yl formate?
2,4-difluoroaniline;propan-2-yl formate has a molecular weight of 217.22 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoroaniline;propan-2-yl formate is sourced from PubChem (CID 174299671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).