4-(2,3,4,5-tetrafluorophenyl)butan-1-amine

C10H11F4N — CID 87970445

IUPAC4-(2,3,4,5-tetrafluorophenyl)butan-1-amine
SMILESNCCCCc1cc(F)c(F)c(F)c1F
InChIInChI=1S/C10H11F4N/c11-7-5-6(3-1-2-4-15)8(12)10(14)9(7)13/h5H,1-4,15H2
InChIKeyBEGOEMAAEJXFDG-UHFFFAOYSA-N
MW221.20 g/mol
LogP2.52
Rot. Bonds4

About 4-(2,3,4,5-tetrafluorophenyl)butan-1-amine

4-(2,3,4,5-tetrafluorophenyl)butan-1-amine (PubChem CID 87970445) has the molecular formula C10H11F4N and a molecular weight of 221.20 g/mol. Its IUPAC name is 4-(2,3,4,5-tetrafluorophenyl)butan-1-amine.

Molecular Properties

Compound Name4-(2,3,4,5-tetrafluorophenyl)butan-1-amine
PubChem CID87970445
Molecular FormulaC10H11F4N
Molecular Weight221.20 g/mol
Exact Mass221.08
IUPAC Name4-(2,3,4,5-tetrafluorophenyl)butan-1-amine
SMILESNCCCCc1cc(F)c(F)c(F)c1F
InChIInChI=1S/C10H11F4N/c11-7-5-6(3-1-2-4-15)8(12)10(14)9(7)13/h5H,1-4,15H2
InChIKeyBEGOEMAAEJXFDG-UHFFFAOYSA-N
XLogP2.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.20
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

4-(2,3-difluoro-5-methylphenyl)butan-1-amine
CID 117288646
3-(3-chloro-2,4,5-trifluorophenyl)propan-1-amine
CID 115113368
trihydroxy-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane
CID 90174029
1-(3,3-difluoropropyl)-2,3,4,5-tetrafluorobenzene
CID 91063618
2-(4-aminobutyl)-4,5-difluorophenol
CID 117289972
2-(2,3,4,5-tetrafluorophenyl)ethanol
CID 55267980
4-[2,3-difluoro-5-(1-fluoroethyl)phenyl]butan-1-amine
CID 117334201
dimethoxy-methyl-[4-(2,3,4,5-tetrafluorophenyl)butyl]silane
CID 90171977
4-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]butan-1-amine
CID 117365180
4-(3-bromo-5-ethyl-2-fluorophenyl)butan-1-amine
CID 117437788
dihydroxy-methoxy-[6-(2,3,4,5-tetrafluorophenyl)hexyl]silane
CID 90175405
diethoxy-methyl-[5-(2,3,4,5-tetrafluorophenyl)pentyl]silane
CID 90173067

Frequently Asked Questions

What is the IUPAC name of 4-(2,3,4,5-tetrafluorophenyl)butan-1-amine?
The IUPAC name of 4-(2,3,4,5-tetrafluorophenyl)butan-1-amine (CID 87970445) is 4-(2,3,4,5-tetrafluorophenyl)butan-1-amine.
What is the SMILES notation for 4-(2,3,4,5-tetrafluorophenyl)butan-1-amine?
The canonical SMILES for 4-(2,3,4,5-tetrafluorophenyl)butan-1-amine is NCCCCc1cc(F)c(F)c(F)c1F.
What is the InChIKey of 4-(2,3,4,5-tetrafluorophenyl)butan-1-amine?
The InChIKey is BEGOEMAAEJXFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F4N/c11-7-5-6(3-1-2-4-15)8(12)10(14)9(7)13/h5H,1-4,15H2.
What are the key properties of 4-(2,3,4,5-tetrafluorophenyl)butan-1-amine?
4-(2,3,4,5-tetrafluorophenyl)butan-1-amine has a molecular weight of 221.20 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3,4,5-tetrafluorophenyl)butan-1-amine is sourced from PubChem (CID 87970445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).