(1R)-1-(4-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride

C10H10BrClF5N — CID 171206711

IUPAC(1R)-1-(4-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
SMILESCl.N[C@H](CCC(F)(F)F)c1c(F)cc(Br)cc1F
InChIInChI=1S/C10H9BrF5N.ClH/c11-5-3-6(12)9(7(13)4-5)8(17)1-2-10(14,15)16;/h3-4,8H,1-2,17H2;1H/t8-;/m1./s1
InChIKeyOQZZERPOTGQDKE-DDWIOCJRSA-N
MW354.54 g/mol
LogP4.49
Rot. Bonds3

About (1R)-1-(4-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride

(1R)-1-(4-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride (PubChem CID 171206711) has the molecular formula C10H10BrClF5N and a molecular weight of 354.54 g/mol. Its IUPAC name is (1R)-1-(4-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
PubChem CID171206711
Molecular FormulaC10H10BrClF5N
Molecular Weight354.54 g/mol
Exact Mass352.96
IUPAC Name(1R)-1-(4-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
SMILESCl.N[C@H](CCC(F)(F)F)c1c(F)cc(Br)cc1F
InChIInChI=1S/C10H9BrF5N.ClH/c11-5-3-6(12)9(7(13)4-5)8(17)1-2-10(14,15)16;/h3-4,8H,1-2,17H2;1H/t8-;/m1./s1
InChIKeyOQZZERPOTGQDKE-DDWIOCJRSA-N
XLogP4.49
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.54
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1R)-1-(4-bromo-2,6-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171206699
(1S)-1-(4-bromo-2,6-difluorophenyl)butane-1,4-diamine
CID 171226270
(3R)-3-amino-3-(4-bromo-2,6-difluorophenyl)propan-1-ol
CID 131090979
1-(4-bromo-2-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 114906017
(2S)-2-amino-2-(4-bromo-2,6-difluorophenyl)ethanol;hydrochloride
CID 171206728
(1S)-4,4,4-trifluoro-1-[2-fluoro-4,6-bis(trifluoromethyl)phenyl]butan-1-amine;hydrochloride
CID 171235772
(1S)-1-(4-bromo-2,6-difluorophenyl)-3,3-difluoropropan-1-amine;hydrochloride
CID 171313079
1-(3-bromo-5-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 66423671
1-(4-bromo-2,6-difluorophenyl)pent-4-yn-1-amine
CID 115859648
(1S)-1-(2-chloro-3,6-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171228945
(1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171200922
(1R)-1-(4-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine
CID 131315667

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-(4-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride (CID 171206711) is (1R)-1-(4-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-(4-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-(4-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride is Cl.N[C@H](CCC(F)(F)F)c1c(F)cc(Br)cc1F.
What is the InChIKey of (1R)-1-(4-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride?
The InChIKey is OQZZERPOTGQDKE-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H9BrF5N.ClH/c11-5-3-6(12)9(7(13)4-5)8(17)1-2-10(14,15)16;/h3-4,8H,1-2,17H2;1H/t8-;/m1./s1.
What are the key properties of (1R)-1-(4-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride?
(1R)-1-(4-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride has a molecular weight of 354.54 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride is sourced from PubChem (CID 171206711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).