(1R)-1-(3-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride

C10H11BrClF4N — CID 171203694

IUPAC(1R)-1-(3-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
SMILESCl.N[C@H](CCC(F)(F)F)c1cccc(Br)c1F
InChIInChI=1S/C10H10BrF4N.ClH/c11-7-3-1-2-6(9(7)12)8(16)4-5-10(13,14)15;/h1-3,8H,4-5,16H2;1H/t8-;/m1./s1
InChIKeyCHQRVEGEVHPZGQ-DDWIOCJRSA-N
MW336.55 g/mol
LogP4.35
Rot. Bonds3

About (1R)-1-(3-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride

(1R)-1-(3-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride (PubChem CID 171203694) has the molecular formula C10H11BrClF4N and a molecular weight of 336.55 g/mol. Its IUPAC name is (1R)-1-(3-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
PubChem CID171203694
Molecular FormulaC10H11BrClF4N
Molecular Weight336.55 g/mol
Exact Mass334.97
IUPAC Name(1R)-1-(3-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
SMILESCl.N[C@H](CCC(F)(F)F)c1cccc(Br)c1F
InChIInChI=1S/C10H10BrF4N.ClH/c11-7-3-1-2-6(9(7)12)8(16)4-5-10(13,14)15;/h1-3,8H,4-5,16H2;1H/t8-;/m1./s1
InChIKeyCHQRVEGEVHPZGQ-DDWIOCJRSA-N
XLogP4.35
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.55
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(2,3-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171204140
1-(3-bromo-2-fluorophenyl)butan-1-amine
CID 103692974
(1R)-1-(3-bromo-2-fluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171203680
(1R)-1-(3-bromo-2-fluorophenyl)-2-fluoroethanamine
CID 124707209
1-(2-bromo-3-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 104992921
(1S)-1-(3-chloro-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 171228901
1-(3-bromo-2-fluorophenyl)-N',N'-dimethylpropane-1,3-diamine
CID 106645991
(2R)-2-amino-2-(3-bromo-2-fluorophenyl)ethanol
CID 66514745
(1S)-4,4,4-trifluoro-1-(2-fluorophenyl)butan-1-amine;hydrochloride
CID 171218619
(1R)-1-(3-bromo-2-fluorophenyl)propan-1-amine
CID 131190372
1-(3-bromo-2-fluorophenyl)undecan-1-amine
CID 107952817
(1R)-1-(3-bromo-2-fluorophenyl)but-3-en-1-amine;hydrochloride
CID 171203684

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(3-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride (CID 171203694) is (1R)-1-(3-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(3-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(3-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride is Cl.N[C@H](CCC(F)(F)F)c1cccc(Br)c1F.
What is the InChIKey of (1R)-1-(3-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride?
The InChIKey is CHQRVEGEVHPZGQ-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H10BrF4N.ClH/c11-7-3-1-2-6(9(7)12)8(16)4-5-10(13,14)15;/h1-3,8H,4-5,16H2;1H/t8-;/m1./s1.
What are the key properties of (1R)-1-(3-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride?
(1R)-1-(3-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride has a molecular weight of 336.55 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride is sourced from PubChem (CID 171203694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).