1-(3-bromo-5-fluorophenyl)-4,4,4-trifluorobutan-1-amine

C10H10BrF4N — CID 66423671

IUPAC1-(3-bromo-5-fluorophenyl)-4,4,4-trifluorobutan-1-amine
SMILESNC(CCC(F)(F)F)c1cc(F)cc(Br)c1
InChIInChI=1S/C10H10BrF4N/c11-7-3-6(4-8(12)5-7)9(16)1-2-10(13,14)15/h3-5,9H,1-2,16H2
InChIKeyJNWSUEOAFAYOPY-UHFFFAOYSA-N
MW300.09 g/mol
LogP3.93
Rot. Bonds3

About 1-(3-bromo-5-fluorophenyl)-4,4,4-trifluorobutan-1-amine

1-(3-bromo-5-fluorophenyl)-4,4,4-trifluorobutan-1-amine (PubChem CID 66423671) has the molecular formula C10H10BrF4N and a molecular weight of 300.09 g/mol. Its IUPAC name is 1-(3-bromo-5-fluorophenyl)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name1-(3-bromo-5-fluorophenyl)-4,4,4-trifluorobutan-1-amine
PubChem CID66423671
Molecular FormulaC10H10BrF4N
Molecular Weight300.09 g/mol
Exact Mass298.99
IUPAC Name1-(3-bromo-5-fluorophenyl)-4,4,4-trifluorobutan-1-amine
SMILESNC(CCC(F)(F)F)c1cc(F)cc(Br)c1
InChIInChI=1S/C10H10BrF4N/c11-7-3-6(4-8(12)5-7)9(16)1-2-10(13,14)15/h3-5,9H,1-2,16H2
InChIKeyJNWSUEOAFAYOPY-UHFFFAOYSA-N
XLogP3.93
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.09
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-(3,5-difluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 171224083
1-(3-bromo-5-fluorophenyl)-4-methoxy-4-methylpentan-1-amine
CID 103031167
(1S)-1-(3-bromo-5-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171223503
(1S)-1-(3-bromo-5-fluorophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171223533
1-(3-bromo-5-fluorophenyl)octan-1-amine
CID 66423474
(2R)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol
CID 66514747
(1S)-1-(3-bromo-5-fluorophenyl)pent-4-en-1-amine;hydrochloride
CID 171223529
(1R)-1-(4-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171206711
1-(3-bromo-5-fluorophenyl)-N-ethyl-4,4,4-trifluorobutan-1-amine
CID 66423655
(1S)-1-(3-bromo-5-fluorophenyl)but-3-en-1-amine
CID 131051848
(1S)-1-[3,5-bis(trifluoromethyl)phenyl]-4,4,4-trifluorobutan-1-amine
CID 171218098
(1R)-1-(3-bromo-5-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171312309

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-fluorophenyl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 1-(3-bromo-5-fluorophenyl)-4,4,4-trifluorobutan-1-amine (CID 66423671) is 1-(3-bromo-5-fluorophenyl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 1-(3-bromo-5-fluorophenyl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 1-(3-bromo-5-fluorophenyl)-4,4,4-trifluorobutan-1-amine is NC(CCC(F)(F)F)c1cc(F)cc(Br)c1.
What is the InChIKey of 1-(3-bromo-5-fluorophenyl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is JNWSUEOAFAYOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF4N/c11-7-3-6(4-8(12)5-7)9(16)1-2-10(13,14)15/h3-5,9H,1-2,16H2.
What are the key properties of 1-(3-bromo-5-fluorophenyl)-4,4,4-trifluorobutan-1-amine?
1-(3-bromo-5-fluorophenyl)-4,4,4-trifluorobutan-1-amine has a molecular weight of 300.09 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-fluorophenyl)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 66423671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).