4,5-difluoro-2-iodo-N-(2-methylprop-2-enyl)aniline

C10H10F2IN — CID 131207199

IUPAC4,5-difluoro-2-iodo-N-(2-methylprop-2-enyl)aniline
SMILESC=C(C)CNc1cc(F)c(F)cc1I
InChIInChI=1S/C10H10F2IN/c1-6(2)5-14-10-4-8(12)7(11)3-9(10)13/h3-4,14H,1,5H2,2H3
InChIKeyMFGPFCBBFGAMNL-UHFFFAOYSA-N
MW309.10 g/mol
LogP3.56
Rot. Bonds3

About 4,5-difluoro-2-iodo-N-(2-methylprop-2-enyl)aniline

4,5-difluoro-2-iodo-N-(2-methylprop-2-enyl)aniline (PubChem CID 131207199) has the molecular formula C10H10F2IN and a molecular weight of 309.10 g/mol. Its IUPAC name is 4,5-difluoro-2-iodo-N-(2-methylprop-2-enyl)aniline.

Molecular Properties

Compound Name4,5-difluoro-2-iodo-N-(2-methylprop-2-enyl)aniline
PubChem CID131207199
Molecular FormulaC10H10F2IN
Molecular Weight309.10 g/mol
Exact Mass308.98
IUPAC Name4,5-difluoro-2-iodo-N-(2-methylprop-2-enyl)aniline
SMILESC=C(C)CNc1cc(F)c(F)cc1I
InChIInChI=1S/C10H10F2IN/c1-6(2)5-14-10-4-8(12)7(11)3-9(10)13/h3-4,14H,1,5H2,2H3
InChIKeyMFGPFCBBFGAMNL-UHFFFAOYSA-N
XLogP3.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.10
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-5-methyl-1-N-(2-methylprop-2-enyl)benzene-1,2-diamine
CID 103590813
3,5-difluoro-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 114617532
2-methoxy-5-methyl-N-(2-methylprop-2-enyl)aniline
CID 60679323
2-methyl-N-(2-methylprop-2-enyl)-5-(trifluoromethyl)aniline
CID 66481146
2-fluoro-4-(2-methylprop-2-enylamino)benzoic acid
CID 114619128
3-fluoro-N-(2-methylprop-2-enyl)pyridin-2-amine
CID 114617514
2-ethyl-N-(2-methylprop-2-enyl)aniline
CID 60679757
6-chloro-2,5-dimethyl-N-(2-methylprop-2-enyl)pyridin-3-amine
CID 167100568
N,N-diethyl-2-(4-fluoro-2-iodoanilino)acetamide
CID 79769175
N,N-dimethyl-2-(2,4,5-trifluoroanilino)acetamide
CID 62815758
2-chloro-5-fluoro-N-(2-methylprop-2-enyl)pyrimidin-4-amine
CID 106196739
N-ethyl-2-(2,4,5-trifluoroanilino)acetamide
CID 62815913

Frequently Asked Questions

What is the IUPAC name of 4,5-difluoro-2-iodo-N-(2-methylprop-2-enyl)aniline?
The IUPAC name of 4,5-difluoro-2-iodo-N-(2-methylprop-2-enyl)aniline (CID 131207199) is 4,5-difluoro-2-iodo-N-(2-methylprop-2-enyl)aniline.
What is the SMILES notation for 4,5-difluoro-2-iodo-N-(2-methylprop-2-enyl)aniline?
The canonical SMILES for 4,5-difluoro-2-iodo-N-(2-methylprop-2-enyl)aniline is C=C(C)CNc1cc(F)c(F)cc1I.
What is the InChIKey of 4,5-difluoro-2-iodo-N-(2-methylprop-2-enyl)aniline?
The InChIKey is MFGPFCBBFGAMNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2IN/c1-6(2)5-14-10-4-8(12)7(11)3-9(10)13/h3-4,14H,1,5H2,2H3.
What are the key properties of 4,5-difluoro-2-iodo-N-(2-methylprop-2-enyl)aniline?
4,5-difluoro-2-iodo-N-(2-methylprop-2-enyl)aniline has a molecular weight of 309.10 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-difluoro-2-iodo-N-(2-methylprop-2-enyl)aniline is sourced from PubChem (CID 131207199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).