N-(2-bromoprop-2-enyl)-4-(trifluoromethyl)cyclohexan-1-amine

C10H15BrF3N — CID 104844718

IUPACN-(2-bromoprop-2-enyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESC=C(Br)CNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H15BrF3N/c1-7(11)6-15-9-4-2-8(3-5-9)10(12,13)14/h8-9,15H,1-6H2
InChIKeyKHHYKYJIWFKINR-UHFFFAOYSA-N
MW286.14 g/mol
LogP3.61
Rot. Bonds3

About N-(2-bromoprop-2-enyl)-4-(trifluoromethyl)cyclohexan-1-amine

N-(2-bromoprop-2-enyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 104844718) has the molecular formula C10H15BrF3N and a molecular weight of 286.14 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID104844718
Molecular FormulaC10H15BrF3N
Molecular Weight286.14 g/mol
Exact Mass285.03
IUPAC NameN-(2-bromoprop-2-enyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESC=C(Br)CNC1CCC(C(F)(F)F)CC1
InChIInChI=1S/C10H15BrF3N/c1-7(11)6-15-9-4-2-8(3-5-9)10(12,13)14/h8-9,15H,1-6H2
InChIKeyKHHYKYJIWFKINR-UHFFFAOYSA-N
XLogP3.61
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.14
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of N-(2-bromoprop-2-enyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 104844718) is N-(2-bromoprop-2-enyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for N-(2-bromoprop-2-enyl)-4-(trifluoromethyl)cyclohexan-1-amine is C=C(Br)CNC1CCC(C(F)(F)F)CC1.
What is the InChIKey of N-(2-bromoprop-2-enyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is KHHYKYJIWFKINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrF3N/c1-7(11)6-15-9-4-2-8(3-5-9)10(12,13)14/h8-9,15H,1-6H2.
What are the key properties of N-(2-bromoprop-2-enyl)-4-(trifluoromethyl)cyclohexan-1-amine?
N-(2-bromoprop-2-enyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 286.14 g/mol, XLogP of 3.61, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 104844718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).