1-(4-bromophenyl)-2,2-difluorocyclopropan-1-amine

C9H8BrF2N — CID 155978441

IUPAC1-(4-bromophenyl)-2,2-difluorocyclopropan-1-amine
SMILESNC1(c2ccc(Br)cc2)CC1(F)F
InChIInChI=1S/C9H8BrF2N/c10-7-3-1-6(2-4-7)8(13)5-9(8,11)12/h1-4H,5,13H2
InChIKeyCLMNSPCUICYKKR-UHFFFAOYSA-N
MW248.07 g/mol
LogP2.64
Rot. Bonds1

About 1-(4-bromophenyl)-2,2-difluorocyclopropan-1-amine

1-(4-bromophenyl)-2,2-difluorocyclopropan-1-amine (PubChem CID 155978441) has the molecular formula C9H8BrF2N and a molecular weight of 248.07 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2,2-difluorocyclopropan-1-amine.

Molecular Properties

Compound Name1-(4-bromophenyl)-2,2-difluorocyclopropan-1-amine
PubChem CID155978441
Molecular FormulaC9H8BrF2N
Molecular Weight248.07 g/mol
Exact Mass246.98
IUPAC Name1-(4-bromophenyl)-2,2-difluorocyclopropan-1-amine
SMILESNC1(c2ccc(Br)cc2)CC1(F)F
InChIInChI=1S/C9H8BrF2N/c10-7-3-1-6(2-4-7)8(13)5-9(8,11)12/h1-4H,5,13H2
InChIKeyCLMNSPCUICYKKR-UHFFFAOYSA-N
XLogP2.64
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.07
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2,2-difluorocyclopropan-1-amine?
The IUPAC name of 1-(4-bromophenyl)-2,2-difluorocyclopropan-1-amine (CID 155978441) is 1-(4-bromophenyl)-2,2-difluorocyclopropan-1-amine.
What is the SMILES notation for 1-(4-bromophenyl)-2,2-difluorocyclopropan-1-amine?
The canonical SMILES for 1-(4-bromophenyl)-2,2-difluorocyclopropan-1-amine is NC1(c2ccc(Br)cc2)CC1(F)F.
What is the InChIKey of 1-(4-bromophenyl)-2,2-difluorocyclopropan-1-amine?
The InChIKey is CLMNSPCUICYKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8BrF2N/c10-7-3-1-6(2-4-7)8(13)5-9(8,11)12/h1-4H,5,13H2.
What are the key properties of 1-(4-bromophenyl)-2,2-difluorocyclopropan-1-amine?
1-(4-bromophenyl)-2,2-difluorocyclopropan-1-amine has a molecular weight of 248.07 g/mol, XLogP of 2.64, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2,2-difluorocyclopropan-1-amine is sourced from PubChem (CID 155978441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).