1-(3-bromo-2,6-difluorophenyl)-5,5,5-trifluoropentan-2-amine

C11H11BrF5N — CID 106268059

IUPAC1-(3-bromo-2,6-difluorophenyl)-5,5,5-trifluoropentan-2-amine
SMILESNC(CCC(F)(F)F)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C11H11BrF5N/c12-8-1-2-9(13)7(10(8)14)5-6(18)3-4-11(15,16)17/h1-2,6H,3-5,18H2
InChIKeyMAXMHKSXXSKMPD-UHFFFAOYSA-N
MW332.11 g/mol
LogP3.94
Rot. Bonds4

About 1-(3-bromo-2,6-difluorophenyl)-5,5,5-trifluoropentan-2-amine

1-(3-bromo-2,6-difluorophenyl)-5,5,5-trifluoropentan-2-amine (PubChem CID 106268059) has the molecular formula C11H11BrF5N and a molecular weight of 332.11 g/mol. Its IUPAC name is 1-(3-bromo-2,6-difluorophenyl)-5,5,5-trifluoropentan-2-amine.

Molecular Properties

Compound Name1-(3-bromo-2,6-difluorophenyl)-5,5,5-trifluoropentan-2-amine
PubChem CID106268059
Molecular FormulaC11H11BrF5N
Molecular Weight332.11 g/mol
Exact Mass331.00
IUPAC Name1-(3-bromo-2,6-difluorophenyl)-5,5,5-trifluoropentan-2-amine
SMILESNC(CCC(F)(F)F)Cc1c(F)ccc(Br)c1F
InChIInChI=1S/C11H11BrF5N/c12-8-1-2-9(13)7(10(8)14)5-6(18)3-4-11(15,16)17/h1-2,6H,3-5,18H2
InChIKeyMAXMHKSXXSKMPD-UHFFFAOYSA-N
XLogP3.94
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.11
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-2,6-difluorophenyl)decan-2-amine
CID 106274012
1-(3-bromo-2,6-difluorophenyl)octan-2-amine
CID 106274291
1-(3-bromo-2,6-difluorophenyl)-4-phenylbutan-2-amine
CID 106267021
1-(3-bromo-2,6-difluorophenyl)-4-propoxybutan-2-amine
CID 106274256
4-(3-bromo-2,6-difluorophenyl)-3-methylbutan-1-amine
CID 106273281
1-(3-bromo-2,6-difluorophenyl)-3-(2-methylpropylsulfanyl)propan-2-amine
CID 106267503
3-(3-bromo-2,6-difluorophenyl)-2-fluoropropan-1-amine
CID 106273471
2-(3-bromo-2,6-difluorophenyl)-1-(4-chlorophenyl)ethanamine
CID 106266780
4-(3-bromo-2,6-difluorophenyl)butan-2-amine
CID 106943489
1-(3-bromo-2,6-difluorophenyl)-3-ethoxy-3-methylbutan-2-amine
CID 114166303
[1-(3-bromo-2,6-difluorophenyl)-4,4,4-trifluorobutyl]hydrazine
CID 106945388
1-(3-bromo-2,6-difluorophenyl)-3-methoxyhexan-2-amine
CID 106268510

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-5,5,5-trifluoropentan-2-amine?
The IUPAC name of 1-(3-bromo-2,6-difluorophenyl)-5,5,5-trifluoropentan-2-amine (CID 106268059) is 1-(3-bromo-2,6-difluorophenyl)-5,5,5-trifluoropentan-2-amine.
What is the SMILES notation for 1-(3-bromo-2,6-difluorophenyl)-5,5,5-trifluoropentan-2-amine?
The canonical SMILES for 1-(3-bromo-2,6-difluorophenyl)-5,5,5-trifluoropentan-2-amine is NC(CCC(F)(F)F)Cc1c(F)ccc(Br)c1F.
What is the InChIKey of 1-(3-bromo-2,6-difluorophenyl)-5,5,5-trifluoropentan-2-amine?
The InChIKey is MAXMHKSXXSKMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF5N/c12-8-1-2-9(13)7(10(8)14)5-6(18)3-4-11(15,16)17/h1-2,6H,3-5,18H2.
What are the key properties of 1-(3-bromo-2,6-difluorophenyl)-5,5,5-trifluoropentan-2-amine?
1-(3-bromo-2,6-difluorophenyl)-5,5,5-trifluoropentan-2-amine has a molecular weight of 332.11 g/mol, XLogP of 3.94, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2,6-difluorophenyl)-5,5,5-trifluoropentan-2-amine is sourced from PubChem (CID 106268059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).