N-(2-chloroprop-2-enyl)-5-fluoro-2-methylaniline

C10H11ClFN — CID 60679321

IUPACN-(2-chloroprop-2-enyl)-5-fluoro-2-methylaniline
SMILESC=C(Cl)CNc1cc(F)ccc1C
InChIInChI=1S/C10H11ClFN/c1-7-3-4-9(12)5-10(7)13-6-8(2)11/h3-5,13H,2,6H2,1H3
InChIKeyHECQQFXKCGEFLK-UHFFFAOYSA-N
MW199.66 g/mol
LogP3.30
Rot. Bonds3

About N-(2-chloroprop-2-enyl)-5-fluoro-2-methylaniline

N-(2-chloroprop-2-enyl)-5-fluoro-2-methylaniline (PubChem CID 60679321) has the molecular formula C10H11ClFN and a molecular weight of 199.66 g/mol. Its IUPAC name is N-(2-chloroprop-2-enyl)-5-fluoro-2-methylaniline.

Molecular Properties

Compound NameN-(2-chloroprop-2-enyl)-5-fluoro-2-methylaniline
PubChem CID60679321
Molecular FormulaC10H11ClFN
Molecular Weight199.66 g/mol
Exact Mass199.06
IUPAC NameN-(2-chloroprop-2-enyl)-5-fluoro-2-methylaniline
SMILESC=C(Cl)CNc1cc(F)ccc1C
InChIInChI=1S/C10H11ClFN/c1-7-3-4-9(12)5-10(7)13-6-8(2)11/h3-5,13H,2,6H2,1H3
InChIKeyHECQQFXKCGEFLK-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.66
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(5-fluoro-2-methylanilino)-N-(4-fluorophenyl)acetamide
CID 9099732
N-ethyl-2-(5-fluoro-2-methylanilino)-N-(2-methylprop-2-enyl)acetamide
CID 134031279
4-[(5-fluoro-2-methylanilino)methyl]-2,6-dimethylphenol
CID 28932344
2-(5-chloro-2-methylanilino)-N-(2,5-difluorophenyl)acetamide
CID 37479978
4-(5-fluoro-2-methylanilino)-2-methylbutan-2-ol
CID 79359581
(Z)-4-(5-fluoro-2-methylanilino)-3-methylbut-2-enoic acid
CID 103235726
5-fluoro-2-methyl-N-prop-2-ynylaniline
CID 60679305
5-fluoro-2-methyl-N-[(2,4,5-trifluorophenyl)methyl]aniline
CID 103818107
2-(5-fluoro-2-methylanilino)-N-(2,2,2-trifluoroethyl)acetamide
CID 60652978
N-[(4-chlorophenyl)methyl]-2-(5-fluoro-2-methylanilino)acetamide
CID 26437770
N-(5-fluoro-2-methylphenyl)-N',N'-dimethylethane-1,2-diamine
CID 28582966
N-(2-chloro-4-fluorophenyl)-2-(2,5-dimethylanilino)acetamide
CID 9079599

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroprop-2-enyl)-5-fluoro-2-methylaniline?
The IUPAC name of N-(2-chloroprop-2-enyl)-5-fluoro-2-methylaniline (CID 60679321) is N-(2-chloroprop-2-enyl)-5-fluoro-2-methylaniline.
What is the SMILES notation for N-(2-chloroprop-2-enyl)-5-fluoro-2-methylaniline?
The canonical SMILES for N-(2-chloroprop-2-enyl)-5-fluoro-2-methylaniline is C=C(Cl)CNc1cc(F)ccc1C.
What is the InChIKey of N-(2-chloroprop-2-enyl)-5-fluoro-2-methylaniline?
The InChIKey is HECQQFXKCGEFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN/c1-7-3-4-9(12)5-10(7)13-6-8(2)11/h3-5,13H,2,6H2,1H3.
What are the key properties of N-(2-chloroprop-2-enyl)-5-fluoro-2-methylaniline?
N-(2-chloroprop-2-enyl)-5-fluoro-2-methylaniline has a molecular weight of 199.66 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroprop-2-enyl)-5-fluoro-2-methylaniline is sourced from PubChem (CID 60679321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).