(Z)-1-(3-bromophenyl)-6,6-difluorohex-1-en-1-amine

C12H14BrF2N — CID 155037579

IUPAC(Z)-1-(3-bromophenyl)-6,6-difluorohex-1-en-1-amine
SMILESN/C(=C\CCCC(F)F)c1cccc(Br)c1
InChIInChI=1S/C12H14BrF2N/c13-10-5-3-4-9(8-10)11(16)6-1-2-7-12(14)15/h3-6,8,12H,1-2,7,16H2/b11-6-
InChIKeyYNDOERKAUIKXAG-WDZFZDKYSA-N
MW290.15 g/mol
LogP4.18
Rot. Bonds5

About (Z)-1-(3-bromophenyl)-6,6-difluorohex-1-en-1-amine

(Z)-1-(3-bromophenyl)-6,6-difluorohex-1-en-1-amine (PubChem CID 155037579) has the molecular formula C12H14BrF2N and a molecular weight of 290.15 g/mol. Its IUPAC name is (Z)-1-(3-bromophenyl)-6,6-difluorohex-1-en-1-amine.

Molecular Properties

Compound Name(Z)-1-(3-bromophenyl)-6,6-difluorohex-1-en-1-amine
PubChem CID155037579
Molecular FormulaC12H14BrF2N
Molecular Weight290.15 g/mol
Exact Mass289.03
IUPAC Name(Z)-1-(3-bromophenyl)-6,6-difluorohex-1-en-1-amine
SMILESN/C(=C\CCCC(F)F)c1cccc(Br)c1
InChIInChI=1S/C12H14BrF2N/c13-10-5-3-4-9(8-10)11(16)6-1-2-7-12(14)15/h3-6,8,12H,1-2,7,16H2/b11-6-
InChIKeyYNDOERKAUIKXAG-WDZFZDKYSA-N
XLogP4.18
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.15
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3-bromophenyl)-6,6-difluorohex-1-en-1-amine?
The IUPAC name of (Z)-1-(3-bromophenyl)-6,6-difluorohex-1-en-1-amine (CID 155037579) is (Z)-1-(3-bromophenyl)-6,6-difluorohex-1-en-1-amine.
What is the SMILES notation for (Z)-1-(3-bromophenyl)-6,6-difluorohex-1-en-1-amine?
The canonical SMILES for (Z)-1-(3-bromophenyl)-6,6-difluorohex-1-en-1-amine is N/C(=C\CCCC(F)F)c1cccc(Br)c1.
What is the InChIKey of (Z)-1-(3-bromophenyl)-6,6-difluorohex-1-en-1-amine?
The InChIKey is YNDOERKAUIKXAG-WDZFZDKYSA-N. The full InChI is InChI=1S/C12H14BrF2N/c13-10-5-3-4-9(8-10)11(16)6-1-2-7-12(14)15/h3-6,8,12H,1-2,7,16H2/b11-6-.
What are the key properties of (Z)-1-(3-bromophenyl)-6,6-difluorohex-1-en-1-amine?
(Z)-1-(3-bromophenyl)-6,6-difluorohex-1-en-1-amine has a molecular weight of 290.15 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3-bromophenyl)-6,6-difluorohex-1-en-1-amine is sourced from PubChem (CID 155037579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).