2-fluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline

C10H5F10N — CID 131953311

IUPAC2-fluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline
SMILESNc1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1F
InChIInChI=1S/C10H5F10N/c11-5-2-1-4(3-6(5)21)7(12,13)8(14,15)9(16,17)10(18,19)20/h1-3H,21H2
InChIKeyRUFJCCYAEICMBP-UHFFFAOYSA-N
MW329.14 g/mol
LogP4.33
Rot. Bonds3

About 2-fluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline

2-fluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline (PubChem CID 131953311) has the molecular formula C10H5F10N and a molecular weight of 329.14 g/mol. Its IUPAC name is 2-fluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline.

Molecular Properties

Compound Name2-fluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline
PubChem CID131953311
Molecular FormulaC10H5F10N
Molecular Weight329.14 g/mol
Exact Mass329.03
IUPAC Name2-fluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline
SMILESNc1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1F
InChIInChI=1S/C10H5F10N/c11-5-2-1-4(3-6(5)21)7(12,13)8(14,15)9(16,17)10(18,19)20/h1-3H,21H2
InChIKeyRUFJCCYAEICMBP-UHFFFAOYSA-N
XLogP4.33
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.14
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline
CID 23630910
1,2-dimethyl-4-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)benzene
CID 164677102
4-(1,1,2,2,3,3,3-heptafluoropropyl)aniline
CID 15019334
1-fluoro-4-(1,1,2,2,3,3,3-heptafluoropropyl)-2-nitrobenzene
CID 131953291
4-[1-(3,4-diaminophenyl)-1,1,2,3,3,3-hexafluoropropan-2-yl]benzene-1,2-diamine
CID 138563376
4-methyl-2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline
CID 164681997
4-[6-(4-aminophenyl)-1,1,1,2,2,3,4,4,5,5,6,6-dodecafluorohexan-3-yl]aniline
CID 169274864
2-amino-4-[8-(3-amino-4-hydroxyphenyl)-1,1,2,2,3,3,6,6,7,7,8,8-dodecafluorooctyl]phenol
CID 21331011
2-amino-4-[1-(3-amino-4-hydroxyphenyl)-1,1,2,3,3,3-hexafluoropropan-2-yl]phenol
CID 22621488
2-chloro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)benzonitrile
CID 21463671
N-methyl-4-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline
CID 71605503
tris[4-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-2-methylphenyl] phosphite
CID 15420596

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline?
The IUPAC name of 2-fluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline (CID 131953311) is 2-fluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline.
What is the SMILES notation for 2-fluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline?
The canonical SMILES for 2-fluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline is Nc1cc(C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)ccc1F.
What is the InChIKey of 2-fluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline?
The InChIKey is RUFJCCYAEICMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F10N/c11-5-2-1-4(3-6(5)21)7(12,13)8(14,15)9(16,17)10(18,19)20/h1-3H,21H2.
What are the key properties of 2-fluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline?
2-fluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline has a molecular weight of 329.14 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)aniline is sourced from PubChem (CID 131953311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).