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

C10H10BrF4N — CID 171200921

IUPAC(1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine
SMILESN[C@H](CCC(F)(F)F)c1ccc(F)c(Br)c1
InChIInChI=1S/C10H10BrF4N/c11-7-5-6(1-2-8(7)12)9(16)3-4-10(13,14)15/h1-2,5,9H,3-4,16H2/t9-/m1/s1
InChIKeyRCUFFPOSLRVPAW-SECBINFHSA-N
MW300.09 g/mol
LogP3.93
Rot. Bonds3

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

(1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine (PubChem CID 171200921) has the molecular formula C10H10BrF4N and a molecular weight of 300.09 g/mol. Its IUPAC name is (1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name(1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine
PubChem CID171200921
Molecular FormulaC10H10BrF4N
Molecular Weight300.09 g/mol
Exact Mass298.99
IUPAC Name(1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine
SMILESN[C@H](CCC(F)(F)F)c1ccc(F)c(Br)c1
InChIInChI=1S/C10H10BrF4N/c11-7-5-6(1-2-8(7)12)9(16)3-4-10(13,14)15/h1-2,5,9H,3-4,16H2/t9-/m1/s1
InChIKeyRCUFFPOSLRVPAW-SECBINFHSA-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

(1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine;hydrochloride
CID 171200922
(1S)-1-(3-bromo-4-fluorophenyl)butan-1-amine
CID 79020953
(1S)-1-(3-bromo-4-fluorophenyl)butane-1,4-diamine;hydrochloride
CID 171220445
(1R)-1-(3-bromo-4-fluorophenyl)butan-1-amine
CID 79021010
1-(3-bromo-4-fluorophenyl)butan-1-amine
CID 79016413
3-amino-3-(3-bromo-4-fluorophenyl)propan-1-ol;hydrochloride
CID 170874533
(1S)-1-(3-bromo-4-fluorophenyl)pentan-1-amine
CID 146013246
(1R)-1-(3-bromo-4-fluorophenyl)pentan-1-amine;hydrochloride
CID 171200915
1-(3-bromo-4-fluorophenyl)pent-4-en-1-amine
CID 82808779
4,4,4-trifluoro-1-[3-fluoro-4-(trifluoromethyl)phenyl]butan-1-amine
CID 107289147
5-[(1R)-1-amino-4,4,4-trifluorobutyl]-2-fluorobenzonitrile
CID 171210977
5-amino-5-(3-bromo-4-fluorophenyl)pentanoic acid
CID 79736889

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of (1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine (CID 171200921) is (1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for (1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for (1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine is N[C@H](CCC(F)(F)F)c1ccc(F)c(Br)c1.
What is the InChIKey of (1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine?
The InChIKey is RCUFFPOSLRVPAW-SECBINFHSA-N. The full InChI is InChI=1S/C10H10BrF4N/c11-7-5-6(1-2-8(7)12)9(16)3-4-10(13,14)15/h1-2,5,9H,3-4,16H2/t9-/m1/s1.
What are the key properties of (1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine?
(1R)-1-(3-bromo-4-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 (1R)-1-(3-bromo-4-fluorophenyl)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 171200921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).