1-(4-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine

C10H10BrF4N — CID 114906017

IUPAC1-(4-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine
SMILESNC(CCC(F)(F)F)c1ccc(Br)cc1F
InChIInChI=1S/C10H10BrF4N/c11-6-1-2-7(8(12)5-6)9(16)3-4-10(13,14)15/h1-2,5,9H,3-4,16H2
InChIKeyNKSUOKPHFGGXAT-UHFFFAOYSA-N
MW300.09 g/mol
LogP3.93
Rot. Bonds3

About 1-(4-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine

1-(4-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine (PubChem CID 114906017) has the molecular formula C10H10BrF4N and a molecular weight of 300.09 g/mol. Its IUPAC name is 1-(4-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine
PubChem CID114906017
Molecular FormulaC10H10BrF4N
Molecular Weight300.09 g/mol
Exact Mass298.99
IUPAC Name1-(4-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine
SMILESNC(CCC(F)(F)F)c1ccc(Br)cc1F
InChIInChI=1S/C10H10BrF4N/c11-6-1-2-7(8(12)5-6)9(16)3-4-10(13,14)15/h1-2,5,9H,3-4,16H2
InChIKeyNKSUOKPHFGGXAT-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

1-[4-bromo-2-(trifluoromethyl)phenyl]-4,4,4-trifluorobutan-1-amine
CID 64566197
(1S)-1-(4-bromo-2-fluorophenyl)butane-1,4-diamine
CID 171218948
2-amino-2-(4-bromo-2-fluorophenyl)ethanol
CID 61056024
4-amino-4-(4-bromo-2-fluorophenyl)butanoic acid
CID 84714295
(1R)-1-(4-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171206711
1-(4-bromo-2-fluorophenyl)-3-methylsulfonylpropan-1-amine
CID 114905996
(1S)-1-(5-bromo-2-ethoxyphenyl)-4,4,4-trifluorobutan-1-amine
CID 171226083
(1S)-4,4,4-trifluoro-1-(2-fluorophenyl)butan-1-amine;hydrochloride
CID 171218619
1-(4-bromo-2-fluorophenyl)-2-methoxyethanamine
CID 112693311
1-(2-bromo-3-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 104992921
(1S)-1-(4-bromo-2-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171311425
(1R)-1-(4-bromo-2-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171312138

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 1-(4-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine (CID 114906017) is 1-(4-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 1-(4-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 1-(4-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine is NC(CCC(F)(F)F)c1ccc(Br)cc1F.
What is the InChIKey of 1-(4-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is NKSUOKPHFGGXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF4N/c11-6-1-2-7(8(12)5-6)9(16)3-4-10(13,14)15/h1-2,5,9H,3-4,16H2.
What are the key properties of 1-(4-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine?
1-(4-bromo-2-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-(4-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 114906017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).