4-bromo-2,5-difluoro-N,N-dipropylaniline

C12H16BrF2N — CID 107612880

IUPAC4-bromo-2,5-difluoro-N,N-dipropylaniline
SMILESCCCN(CCC)c1cc(F)c(Br)cc1F
InChIInChI=1S/C12H16BrF2N/c1-3-5-16(6-4-2)12-8-10(14)9(13)7-11(12)15/h7-8H,3-6H2,1-2H3
InChIKeyWVDVHSBYXJNJBM-UHFFFAOYSA-N
MW292.17 g/mol
LogP4.35
Rot. Bonds5

About 4-bromo-2,5-difluoro-N,N-dipropylaniline

4-bromo-2,5-difluoro-N,N-dipropylaniline (PubChem CID 107612880) has the molecular formula C12H16BrF2N and a molecular weight of 292.17 g/mol. Its IUPAC name is 4-bromo-2,5-difluoro-N,N-dipropylaniline.

Molecular Properties

Compound Name4-bromo-2,5-difluoro-N,N-dipropylaniline
PubChem CID107612880
Molecular FormulaC12H16BrF2N
Molecular Weight292.17 g/mol
Exact Mass291.04
IUPAC Name4-bromo-2,5-difluoro-N,N-dipropylaniline
SMILESCCCN(CCC)c1cc(F)c(Br)cc1F
InChIInChI=1S/C12H16BrF2N/c1-3-5-16(6-4-2)12-8-10(14)9(13)7-11(12)15/h7-8H,3-6H2,1-2H3
InChIKeyWVDVHSBYXJNJBM-UHFFFAOYSA-N
XLogP4.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-5-fluoro-1-N-propyl-1-N-(2,2,2-trifluoroethyl)benzene-1,2-diamine
CID 66109551
2-(4-bromo-5-fluoro-2-nitro-N-propylanilino)acetic acid
CID 66111628
4-bromo-1-N-[3-(diethylamino)propyl]-1-N-ethyl-5-fluorobenzene-1,2-diamine
CID 102991268
5-(ethylaminomethyl)-2-fluoro-N,N-dipropylaniline
CID 84753347
4-bromo-1-N-[2-(dimethylamino)ethyl]-5-fluoro-1-N-methylbenzene-1,2-diamine
CID 66111537
2,4-difluoro-N-hexyl-N-nonylaniline
CID 22637380
2-fluoro-5-[(propan-2-ylamino)methyl]-N,N-dipropylaniline
CID 84753345
4-[(tert-butylamino)methyl]-2-fluoro-N,N-dipropylaniline
CID 63551322
4-bromo-2-N,2-N-dipropylbenzene-1,2-diamine
CID 65341551
4,5-dibromo-1-N,1-N,2-N,2-N-tetra(icosyl)benzene-1,2-diamine
CID 159848569
2-bromo-4-[1-(ethylamino)ethyl]-N,N-dipropylaniline
CID 63532672
2-bromo-4-(dipropylamino)-3-fluorobenzoic acid
CID 107540106

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2,5-difluoro-N,N-dipropylaniline?
The IUPAC name of 4-bromo-2,5-difluoro-N,N-dipropylaniline (CID 107612880) is 4-bromo-2,5-difluoro-N,N-dipropylaniline.
What is the SMILES notation for 4-bromo-2,5-difluoro-N,N-dipropylaniline?
The canonical SMILES for 4-bromo-2,5-difluoro-N,N-dipropylaniline is CCCN(CCC)c1cc(F)c(Br)cc1F.
What is the InChIKey of 4-bromo-2,5-difluoro-N,N-dipropylaniline?
The InChIKey is WVDVHSBYXJNJBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrF2N/c1-3-5-16(6-4-2)12-8-10(14)9(13)7-11(12)15/h7-8H,3-6H2,1-2H3.
What are the key properties of 4-bromo-2,5-difluoro-N,N-dipropylaniline?
4-bromo-2,5-difluoro-N,N-dipropylaniline has a molecular weight of 292.17 g/mol, XLogP of 4.35, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2,5-difluoro-N,N-dipropylaniline is sourced from PubChem (CID 107612880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).