(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-3,3-difluoropropan-1-amine;hydrochloride

C10H10BrClF5N — CID 171313733

IUPAC(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-3,3-difluoropropan-1-amine;hydrochloride
SMILESCl.N[C@H](CC(F)F)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C10H9BrF5N.ClH/c11-7-2-1-5(10(14,15)16)3-6(7)8(17)4-9(12)13;/h1-3,8-9H,4,17H2;1H/t8-;/m1./s1
InChIKeyYKSCKURCWAFWBD-DDWIOCJRSA-N
MW354.54 g/mol
LogP4.54
Rot. Bonds3

About (1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-3,3-difluoropropan-1-amine;hydrochloride

(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-3,3-difluoropropan-1-amine;hydrochloride (PubChem CID 171313733) has the molecular formula C10H10BrClF5N and a molecular weight of 354.54 g/mol. Its IUPAC name is (1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-3,3-difluoropropan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-3,3-difluoropropan-1-amine;hydrochloride
PubChem CID171313733
Molecular FormulaC10H10BrClF5N
Molecular Weight354.54 g/mol
Exact Mass352.96
IUPAC Name(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-3,3-difluoropropan-1-amine;hydrochloride
SMILESCl.N[C@H](CC(F)F)c1cc(C(F)(F)F)ccc1Br
InChIInChI=1S/C10H9BrF5N.ClH/c11-7-2-1-5(10(14,15)16)3-6(7)8(17)4-9(12)13;/h1-3,8-9H,4,17H2;1H/t8-;/m1./s1
InChIKeyYKSCKURCWAFWBD-DDWIOCJRSA-N
XLogP4.54
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 ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-difluoropropan-1-amine
CID 171313176
(2R)-2-amino-2-[2-bromo-5-(trifluoromethyl)phenyl]ethanol;hydrochloride
CID 171226794
1-[2-bromo-5-(trifluoromethyl)phenyl]-4,4,4-trifluorobutan-1-amine
CID 104992641
(4S)-4-amino-4-[2-bromo-5-(trifluoromethyl)phenyl]butan-1-ol;hydrochloride
CID 171226799
(1R)-3,3-difluoro-1-[2-fluoro-4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313739
(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2-cyclopropylethanamine
CID 171226771
(1S)-1-[2-bromo-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 28501880
1-[2-bromo-5-(trifluoromethyl)phenyl]ethanamine
CID 43825554
(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]pent-4-en-1-amine
CID 171207213
(1R,2S)-1-amino-1-[2-bromo-5-(trifluoromethyl)phenyl]-3,3-dimethylbutan-2-ol
CID 171263154
1-[2-bromo-5-(trifluoromethyl)phenyl]-2-(oxan-4-yl)ethanamine
CID 115846640
(1R)-3,3-difluoro-1-[4-(trifluoromethyl)phenyl]propan-1-amine;hydrochloride
CID 171313460

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-3,3-difluoropropan-1-amine;hydrochloride?
The IUPAC name of (1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-3,3-difluoropropan-1-amine;hydrochloride (CID 171313733) is (1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-3,3-difluoropropan-1-amine;hydrochloride.
What is the SMILES notation for (1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-3,3-difluoropropan-1-amine;hydrochloride?
The canonical SMILES for (1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-3,3-difluoropropan-1-amine;hydrochloride is Cl.N[C@H](CC(F)F)c1cc(C(F)(F)F)ccc1Br.
What is the InChIKey of (1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-3,3-difluoropropan-1-amine;hydrochloride?
The InChIKey is YKSCKURCWAFWBD-DDWIOCJRSA-N. The full InChI is InChI=1S/C10H9BrF5N.ClH/c11-7-2-1-5(10(14,15)16)3-6(7)8(17)4-9(12)13;/h1-3,8-9H,4,17H2;1H/t8-;/m1./s1.
What are the key properties of (1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-3,3-difluoropropan-1-amine;hydrochloride?
(1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-3,3-difluoropropan-1-amine;hydrochloride has a molecular weight of 354.54 g/mol, XLogP of 4.54, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[2-bromo-5-(trifluoromethyl)phenyl]-3,3-difluoropropan-1-amine;hydrochloride is sourced from PubChem (CID 171313733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).