cis-(1S,2R)-2-(4-bromo-3-fluorophenyl)-1-ethylcyclopropan-1-amine

C11H13BrFN — CID 118732679

IUPACcis-(1S,2R)-2-(4-bromo-3-fluorophenyl)-1-ethylcyclopropan-1-amine
SMILESCC[C@]1(N)C[C@@H]1c1ccc(Br)c(F)c1
InChIInChI=1S/C11H13BrFN/c1-2-11(14)6-8(11)7-3-4-9(12)10(13)5-7/h3-5,8H,2,6,14H2,1H3/t8-,11+/m1/s1
InChIKeyUGYBNTNFUXFKEE-KCJUWKMLSA-N
MW258.13 g/mol
LogP3.18
Rot. Bonds2

About cis-(1S,2R)-2-(4-bromo-3-fluorophenyl)-1-ethylcyclopropan-1-amine

cis-(1S,2R)-2-(4-bromo-3-fluorophenyl)-1-ethylcyclopropan-1-amine (PubChem CID 118732679) has the molecular formula C11H13BrFN and a molecular weight of 258.13 g/mol. Its IUPAC name is cis-(1S,2R)-2-(4-bromo-3-fluorophenyl)-1-ethylcyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1S,2R)-2-(4-bromo-3-fluorophenyl)-1-ethylcyclopropan-1-amine
PubChem CID118732679
Molecular FormulaC11H13BrFN
Molecular Weight258.13 g/mol
Exact Mass257.02
IUPAC Namecis-(1S,2R)-2-(4-bromo-3-fluorophenyl)-1-ethylcyclopropan-1-amine
SMILESCC[C@]1(N)C[C@@H]1c1ccc(Br)c(F)c1
InChIInChI=1S/C11H13BrFN/c1-2-11(14)6-8(11)7-3-4-9(12)10(13)5-7/h3-5,8H,2,6,14H2,1H3/t8-,11+/m1/s1
InChIKeyUGYBNTNFUXFKEE-KCJUWKMLSA-N
XLogP3.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.13
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-(4-bromo-3-fluorophenyl)-1-ethylcyclopropan-1-amine?
The IUPAC name of cis-(1S,2R)-2-(4-bromo-3-fluorophenyl)-1-ethylcyclopropan-1-amine (CID 118732679) is cis-(1S,2R)-2-(4-bromo-3-fluorophenyl)-1-ethylcyclopropan-1-amine.
What is the SMILES notation for cis-(1S,2R)-2-(4-bromo-3-fluorophenyl)-1-ethylcyclopropan-1-amine?
The canonical SMILES for cis-(1S,2R)-2-(4-bromo-3-fluorophenyl)-1-ethylcyclopropan-1-amine is CC[C@]1(N)C[C@@H]1c1ccc(Br)c(F)c1.
What is the InChIKey of cis-(1S,2R)-2-(4-bromo-3-fluorophenyl)-1-ethylcyclopropan-1-amine?
The InChIKey is UGYBNTNFUXFKEE-KCJUWKMLSA-N. The full InChI is InChI=1S/C11H13BrFN/c1-2-11(14)6-8(11)7-3-4-9(12)10(13)5-7/h3-5,8H,2,6,14H2,1H3/t8-,11+/m1/s1.
What are the key properties of cis-(1S,2R)-2-(4-bromo-3-fluorophenyl)-1-ethylcyclopropan-1-amine?
cis-(1S,2R)-2-(4-bromo-3-fluorophenyl)-1-ethylcyclopropan-1-amine has a molecular weight of 258.13 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-(4-bromo-3-fluorophenyl)-1-ethylcyclopropan-1-amine is sourced from PubChem (CID 118732679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).