[1-[(4-bromophenyl)methyl]cyclohexyl] 2,2,2-trifluoroacetate

C15H16BrF3O2 — CID 67156148

IUPAC[1-[(4-bromophenyl)methyl]cyclohexyl] 2,2,2-trifluoroacetate
SMILESO=C(OC1(Cc2ccc(Br)cc2)CCCCC1)C(F)(F)F
InChIInChI=1S/C15H16BrF3O2/c16-12-6-4-11(5-7-12)10-14(8-2-1-3-9-14)21-13(20)15(17,18)19/h4-7H,1-3,8-10H2
InChIKeyHFEYZYOXPBXSTM-UHFFFAOYSA-N
MW365.19 g/mol
LogP4.80
Rot. Bonds3

About [1-[(4-bromophenyl)methyl]cyclohexyl] 2,2,2-trifluoroacetate

[1-[(4-bromophenyl)methyl]cyclohexyl] 2,2,2-trifluoroacetate (PubChem CID 67156148) has the molecular formula C15H16BrF3O2 and a molecular weight of 365.19 g/mol. Its IUPAC name is [1-[(4-bromophenyl)methyl]cyclohexyl] 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name[1-[(4-bromophenyl)methyl]cyclohexyl] 2,2,2-trifluoroacetate
PubChem CID67156148
Molecular FormulaC15H16BrF3O2
Molecular Weight365.19 g/mol
Exact Mass364.03
IUPAC Name[1-[(4-bromophenyl)methyl]cyclohexyl] 2,2,2-trifluoroacetate
SMILESO=C(OC1(Cc2ccc(Br)cc2)CCCCC1)C(F)(F)F
InChIInChI=1S/C15H16BrF3O2/c16-12-6-4-11(5-7-12)10-14(8-2-1-3-9-14)21-13(20)15(17,18)19/h4-7H,1-3,8-10H2
InChIKeyHFEYZYOXPBXSTM-UHFFFAOYSA-N
XLogP4.80
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.19
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [1-[(4-bromophenyl)methyl]cyclohexyl] 2,2,2-trifluoroacetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [1-[(4-bromophenyl)methyl]cyclohexyl] 2,2,2-trifluoroacetate?
The IUPAC name of [1-[(4-bromophenyl)methyl]cyclohexyl] 2,2,2-trifluoroacetate (CID 67156148) is [1-[(4-bromophenyl)methyl]cyclohexyl] 2,2,2-trifluoroacetate.
What is the SMILES notation for [1-[(4-bromophenyl)methyl]cyclohexyl] 2,2,2-trifluoroacetate?
The canonical SMILES for [1-[(4-bromophenyl)methyl]cyclohexyl] 2,2,2-trifluoroacetate is O=C(OC1(Cc2ccc(Br)cc2)CCCCC1)C(F)(F)F.
What is the InChIKey of [1-[(4-bromophenyl)methyl]cyclohexyl] 2,2,2-trifluoroacetate?
The InChIKey is HFEYZYOXPBXSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrF3O2/c16-12-6-4-11(5-7-12)10-14(8-2-1-3-9-14)21-13(20)15(17,18)19/h4-7H,1-3,8-10H2.
What are the key properties of [1-[(4-bromophenyl)methyl]cyclohexyl] 2,2,2-trifluoroacetate?
[1-[(4-bromophenyl)methyl]cyclohexyl] 2,2,2-trifluoroacetate has a molecular weight of 365.19 g/mol, XLogP of 4.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-bromophenyl)methyl]cyclohexyl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 67156148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).