4-bromo-2,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]aniline

C14H14BrF2NO — CID 107609511

IUPAC4-bromo-2,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]aniline
SMILESCC(CCc1ccco1)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C14H14BrF2NO/c1-9(4-5-10-3-2-6-19-10)18-14-8-12(16)11(15)7-13(14)17/h2-3,6-9,18H,4-5H2,1H3
InChIKeyFHLYYEYAKIBTCF-UHFFFAOYSA-N
MW330.17 g/mol
LogP4.75
Rot. Bonds5

About 4-bromo-2,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]aniline

4-bromo-2,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]aniline (PubChem CID 107609511) has the molecular formula C14H14BrF2NO and a molecular weight of 330.17 g/mol. Its IUPAC name is 4-bromo-2,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]aniline.

Molecular Properties

Compound Name4-bromo-2,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]aniline
PubChem CID107609511
Molecular FormulaC14H14BrF2NO
Molecular Weight330.17 g/mol
Exact Mass329.02
IUPAC Name4-bromo-2,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]aniline
SMILESCC(CCc1ccco1)Nc1cc(F)c(Br)cc1F
InChIInChI=1S/C14H14BrF2NO/c1-9(4-5-10-3-2-6-19-10)18-14-8-12(16)11(15)7-13(14)17/h2-3,6-9,18H,4-5H2,1H3
InChIKeyFHLYYEYAKIBTCF-UHFFFAOYSA-N
XLogP4.75
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.17
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2,3-dichloro-N-[4-(furan-2-yl)butan-2-yl]aniline
CID 107787692
3-fluoro-1-N-[4-(furan-2-yl)butan-2-yl]benzene-1,2-diamine
CID 54968206
N-[(4-bromo-3-fluorophenyl)methyl]-4-(furan-2-yl)butan-2-amine
CID 81002706
3,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]-2-nitroaniline
CID 115507851
4-bromo-5-fluoro-2-N-[1-(furan-2-yl)propan-2-yl]benzene-1,2-diamine
CID 116735654
methyl 4-fluoro-3-[4-(furan-2-yl)butan-2-ylamino]benzoate
CID 43684512
2-bromo-3-fluoro-4-[4-(furan-2-yl)butan-2-ylamino]benzoic acid
CID 107540073
3-fluoro-5-[4-(furan-2-yl)butan-2-ylamino]-4-methylbenzonitrile
CID 43728448
3-bromo-4-[4-(furan-2-yl)butan-2-ylamino]benzenecarbothioamide
CID 82804835
N-[4-(furan-2-yl)butan-2-yl]-2,5-dimethoxyaniline
CID 43478801
2-bromo-N-[4-(furan-2-yl)butan-2-yl]-4-methyl-5-nitroaniline
CID 104815065
3-fluoro-N-[4-(furan-2-yl)butan-2-yl]-4-methoxyaniline
CID 43478969

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]aniline?
The IUPAC name of 4-bromo-2,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]aniline (CID 107609511) is 4-bromo-2,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]aniline.
What is the SMILES notation for 4-bromo-2,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]aniline?
The canonical SMILES for 4-bromo-2,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]aniline is CC(CCc1ccco1)Nc1cc(F)c(Br)cc1F.
What is the InChIKey of 4-bromo-2,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]aniline?
The InChIKey is FHLYYEYAKIBTCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrF2NO/c1-9(4-5-10-3-2-6-19-10)18-14-8-12(16)11(15)7-13(14)17/h2-3,6-9,18H,4-5H2,1H3.
What are the key properties of 4-bromo-2,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]aniline?
4-bromo-2,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]aniline has a molecular weight of 330.17 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,5-difluoro-N-[4-(furan-2-yl)butan-2-yl]aniline is sourced from PubChem (CID 107609511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).