2,4-difluoro-N-methylaniline;methane

C8H11F2N — CID 157160236

IUPAC2,4-difluoro-N-methylaniline;methane
SMILESC.CNc1ccc(F)cc1F
InChIInChI=1S/C7H7F2N.CH4/c1-10-7-3-2-5(8)4-6(7)9;/h2-4,10H,1H3;1H4
InChIKeyAMHCDMONZUBLNZ-UHFFFAOYSA-N
MW159.18 g/mol
LogP2.64
Rot. Bonds1

About 2,4-difluoro-N-methylaniline;methane

2,4-difluoro-N-methylaniline;methane (PubChem CID 157160236) has the molecular formula C8H11F2N and a molecular weight of 159.18 g/mol. Its IUPAC name is 2,4-difluoro-N-methylaniline;methane.

Molecular Properties

Compound Name2,4-difluoro-N-methylaniline;methane
PubChem CID157160236
Molecular FormulaC8H11F2N
Molecular Weight159.18 g/mol
Exact Mass159.09
IUPAC Name2,4-difluoro-N-methylaniline;methane
SMILESC.CNc1ccc(F)cc1F
InChIInChI=1S/C7H7F2N.CH4/c1-10-7-3-2-5(8)4-6(7)9;/h2-4,10H,1H3;1H4
InChIKeyAMHCDMONZUBLNZ-UHFFFAOYSA-N
XLogP2.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.18
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-but-2-enal;2,4-difluoro-N-methylaniline
CID 143382915
2-chloro-4-fluoro-N-methylaniline
CID 21161232
CID 21341950
CID 21341950
1-(2,4-difluorophenyl)-3-methylthiourea
CID 2729992
2-fluoro-N-methyl-4-propan-2-ylaniline
CID 58786905
N-(2,4-difluorophenyl)-2-(methylamino)benzamide
CID 23937514
3-fluoro-4-(methylamino)benzonitrile
CID 21029569
2-fluoro-4-methoxy-N-methylaniline;hydrochloride
CID 175025115
1-(2,4-difluoroanilino)-3-methylthiourea
CID 8657917
2,4-difluoro-N-(2-methoxyphenyl)aniline
CID 82537085
N-(2,4-difluorophenyl)-3-(methylamino)pyridine-2-sulfonamide
CID 103304009
4-ethoxy-2-fluoro-N-methylaniline
CID 68515674

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-methylaniline;methane?
The IUPAC name of 2,4-difluoro-N-methylaniline;methane (CID 157160236) is 2,4-difluoro-N-methylaniline;methane.
What is the SMILES notation for 2,4-difluoro-N-methylaniline;methane?
The canonical SMILES for 2,4-difluoro-N-methylaniline;methane is C.CNc1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-methylaniline;methane?
The InChIKey is AMHCDMONZUBLNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F2N.CH4/c1-10-7-3-2-5(8)4-6(7)9;/h2-4,10H,1H3;1H4.
What are the key properties of 2,4-difluoro-N-methylaniline;methane?
2,4-difluoro-N-methylaniline;methane has a molecular weight of 159.18 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-methylaniline;methane is sourced from PubChem (CID 157160236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).