(1R)-1-(3-bromo-5-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine

C9H6BrF6N — CID 171312309

IUPAC(1R)-1-(3-bromo-5-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
SMILESN[C@H](c1cc(F)cc(Br)c1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H6BrF6N/c10-5-1-4(2-6(11)3-5)7(17)8(12,13)9(14,15)16/h1-3,7H,17H2/t7-/m1/s1
InChIKeyIOOSGUGWBNIIFX-SSDOTTSWSA-N
MW322.05 g/mol
LogP3.79
Rot. Bonds2

About (1R)-1-(3-bromo-5-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine

(1R)-1-(3-bromo-5-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine (PubChem CID 171312309) has the molecular formula C9H6BrF6N and a molecular weight of 322.05 g/mol. Its IUPAC name is (1R)-1-(3-bromo-5-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine.

Molecular Properties

Compound Name(1R)-1-(3-bromo-5-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
PubChem CID171312309
Molecular FormulaC9H6BrF6N
Molecular Weight322.05 g/mol
Exact Mass320.96
IUPAC Name(1R)-1-(3-bromo-5-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
SMILESN[C@H](c1cc(F)cc(Br)c1)C(F)(F)C(F)(F)F
InChIInChI=1S/C9H6BrF6N/c10-5-1-4(2-6(11)3-5)7(17)8(12,13)9(14,15)16/h1-3,7H,17H2/t7-/m1/s1
InChIKeyIOOSGUGWBNIIFX-SSDOTTSWSA-N
XLogP3.79
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.05
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(3-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-amine
CID 130039777
(1S)-1-(3-chloro-5-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine;hydrochloride
CID 171311631
(3R)-3-amino-3-(3-bromo-5-fluorophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171240971
(1R)-2,2,3,3,3-pentafluoro-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 171312383
(2R)-2-amino-2-(3-bromo-5-fluorophenyl)ethanol
CID 66514747
1-(3-bromo-5-fluorophenyl)-4,4,4-trifluorobutan-1-amine
CID 66423671
(2S,3S)-3-amino-3-(3-bromo-5-fluorophenyl)-1,1,1-trifluoropropan-2-ol
CID 171267781
(3S)-3-amino-3-(3-bromo-5-fluorophenyl)-2,2-dimethylpropan-1-ol;hydrochloride
CID 171247688
(1R)-1-(3-bromo-5-fluorophenyl)-2,2,2-trifluoroethanol
CID 124636890
(1S)-1-(2-bromo-5-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 171311553
(1R,2S)-1-amino-1-(3-bromo-5-fluorophenyl)propan-2-ol
CID 130982390
(3-bromo-5-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 107289052

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromo-5-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine?
The IUPAC name of (1R)-1-(3-bromo-5-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine (CID 171312309) is (1R)-1-(3-bromo-5-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine.
What is the SMILES notation for (1R)-1-(3-bromo-5-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine?
The canonical SMILES for (1R)-1-(3-bromo-5-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine is N[C@H](c1cc(F)cc(Br)c1)C(F)(F)C(F)(F)F.
What is the InChIKey of (1R)-1-(3-bromo-5-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine?
The InChIKey is IOOSGUGWBNIIFX-SSDOTTSWSA-N. The full InChI is InChI=1S/C9H6BrF6N/c10-5-1-4(2-6(11)3-5)7(17)8(12,13)9(14,15)16/h1-3,7H,17H2/t7-/m1/s1.
What are the key properties of (1R)-1-(3-bromo-5-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine?
(1R)-1-(3-bromo-5-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine has a molecular weight of 322.05 g/mol, XLogP of 3.79, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-bromo-5-fluorophenyl)-2,2,3,3,3-pentafluoropropan-1-amine is sourced from PubChem (CID 171312309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).