N-[(3-bromo-5-fluorophenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine

C11H10BrF4N — CID 114158902

IUPACN-[(3-bromo-5-fluorophenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESFc1cc(Br)cc(CNC2(C(F)(F)F)CC2)c1
InChIInChI=1S/C11H10BrF4N/c12-8-3-7(4-9(13)5-8)6-17-10(1-2-10)11(14,15)16/h3-5,17H,1-2,6H2
InChIKeyNZWQHYQVGKCZAD-UHFFFAOYSA-N
MW312.10 g/mol
LogP3.77
Rot. Bonds3

About N-[(3-bromo-5-fluorophenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine

N-[(3-bromo-5-fluorophenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 114158902) has the molecular formula C11H10BrF4N and a molecular weight of 312.10 g/mol. Its IUPAC name is N-[(3-bromo-5-fluorophenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-5-fluorophenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID114158902
Molecular FormulaC11H10BrF4N
Molecular Weight312.10 g/mol
Exact Mass310.99
IUPAC NameN-[(3-bromo-5-fluorophenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
SMILESFc1cc(Br)cc(CNC2(C(F)(F)F)CC2)c1
InChIInChI=1S/C11H10BrF4N/c12-8-3-7(4-9(13)5-8)6-17-10(1-2-10)11(14,15)16/h3-5,17H,1-2,6H2
InChIKeyNZWQHYQVGKCZAD-UHFFFAOYSA-N
XLogP3.77
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.10
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(3-bromo-5-fluorophenyl)methyl]-1-methylcyclohexan-1-amine
CID 79710408
[4-[(3-bromo-5-fluorophenyl)methylamino]oxan-4-yl]methanol
CID 113249833
1-(3-bromo-5-fluorophenyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82723093
[1-[(3-bromo-5-fluorophenyl)methylamino]-4-methylcyclohexyl]methanol
CID 79710411
5-bromo-2-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]aniline
CID 106219106
1-[(3-bromo-5-fluorophenyl)methyl]cyclopropan-1-amine
CID 79711556
N-[(3,5-dibromo-2-ethoxyphenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210809
2-bromo-N-[(3-bromo-5-fluorophenyl)methyl]ethanamine
CID 114505284
N-[(5-bromothiophen-2-yl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210234
N-[(3-bromo-5-fluorophenyl)methyl]propan-1-amine
CID 43248382
1-bromo-3-fluoro-5-(fluoromethyl)benzene
CID 118045958
N-[(3-bromo-5-fluorophenyl)methyl]-2-methyl-2-methylsulfonylpropan-1-amine
CID 79710055

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-[(3-bromo-5-fluorophenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine (CID 114158902) is N-[(3-bromo-5-fluorophenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-[(3-bromo-5-fluorophenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-[(3-bromo-5-fluorophenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is Fc1cc(Br)cc(CNC2(C(F)(F)F)CC2)c1.
What is the InChIKey of N-[(3-bromo-5-fluorophenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is NZWQHYQVGKCZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF4N/c12-8-3-7(4-9(13)5-8)6-17-10(1-2-10)11(14,15)16/h3-5,17H,1-2,6H2.
What are the key properties of N-[(3-bromo-5-fluorophenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine?
N-[(3-bromo-5-fluorophenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 312.10 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-5-fluorophenyl)methyl]-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 114158902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).