2,4-difluoro-N-(2-methylidenebutyl)aniline

C11H13F2N — CID 66045919

IUPAC2,4-difluoro-N-(2-methylidenebutyl)aniline
SMILESC=C(CC)CNc1ccc(F)cc1F
InChIInChI=1S/C11H13F2N/c1-3-8(2)7-14-11-5-4-9(12)6-10(11)13/h4-6,14H,2-3,7H2,1H3
InChIKeyUIDYWBCRELTVAU-UHFFFAOYSA-N
MW197.23 g/mol
LogP3.34
Rot. Bonds4

About 2,4-difluoro-N-(2-methylidenebutyl)aniline

2,4-difluoro-N-(2-methylidenebutyl)aniline (PubChem CID 66045919) has the molecular formula C11H13F2N and a molecular weight of 197.23 g/mol. Its IUPAC name is 2,4-difluoro-N-(2-methylidenebutyl)aniline.

Molecular Properties

Compound Name2,4-difluoro-N-(2-methylidenebutyl)aniline
PubChem CID66045919
Molecular FormulaC11H13F2N
Molecular Weight197.23 g/mol
Exact Mass197.10
IUPAC Name2,4-difluoro-N-(2-methylidenebutyl)aniline
SMILESC=C(CC)CNc1ccc(F)cc1F
InChIInChI=1S/C11H13F2N/c1-3-8(2)7-14-11-5-4-9(12)6-10(11)13/h4-6,14H,2-3,7H2,1H3
InChIKeyUIDYWBCRELTVAU-UHFFFAOYSA-N
XLogP3.34
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.23
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(2-methylidenebutyl)aniline
CID 66045449
2,3,4-trifluoro-N-(2-methylidenebutyl)aniline
CID 66045918
2-(2,4-difluoroanilino)-N-(2,4-difluorophenyl)acetamide
CID 109011050
2-bromo-4-chloro-N-(2-methylidenebutyl)aniline
CID 81271581
N-cyclopentyl-2-(2,4-difluoroanilino)acetamide
CID 28582841
ethyl 4-[2-(2,4-difluoroanilino)acetyl]piperazine-1-carboxylate
CID 109003914
N-(4-acetamidophenyl)-2-(2,4-difluoroanilino)acetamide
CID 109010043
2,4-difluoro-N-nonylaniline
CID 43129325
3-(2,4-difluoroanilino)-2,2-dimethylpropan-1-ol
CID 81414588
N-(4-tert-butylphenyl)-2-(2,4-difluoroanilino)acetamide
CID 109008349
N-(2,2-difluoroethyl)-2,4-difluoroaniline
CID 60922655
1-but-1-en-2-yl-2,4-difluorobenzene
CID 57095622

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-(2-methylidenebutyl)aniline?
The IUPAC name of 2,4-difluoro-N-(2-methylidenebutyl)aniline (CID 66045919) is 2,4-difluoro-N-(2-methylidenebutyl)aniline.
What is the SMILES notation for 2,4-difluoro-N-(2-methylidenebutyl)aniline?
The canonical SMILES for 2,4-difluoro-N-(2-methylidenebutyl)aniline is C=C(CC)CNc1ccc(F)cc1F.
What is the InChIKey of 2,4-difluoro-N-(2-methylidenebutyl)aniline?
The InChIKey is UIDYWBCRELTVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2N/c1-3-8(2)7-14-11-5-4-9(12)6-10(11)13/h4-6,14H,2-3,7H2,1H3.
What are the key properties of 2,4-difluoro-N-(2-methylidenebutyl)aniline?
2,4-difluoro-N-(2-methylidenebutyl)aniline has a molecular weight of 197.23 g/mol, XLogP of 3.34, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-(2-methylidenebutyl)aniline is sourced from PubChem (CID 66045919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).