3-[2-bromoprop-2-enyl(2,2,2-trifluoroethyl)amino]propan-1-ol

C8H13BrF3NO — CID 111110111

IUPAC3-[2-bromoprop-2-enyl(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESC=C(Br)CN(CCCO)CC(F)(F)F
InChIInChI=1S/C8H13BrF3NO/c1-7(9)5-13(3-2-4-14)6-8(10,11)12/h14H,1-6H2
InChIKeyJTJBJIXBRQURGZ-UHFFFAOYSA-N
MW276.10 g/mol
LogP2.14
Rot. Bonds6

About 3-[2-bromoprop-2-enyl(2,2,2-trifluoroethyl)amino]propan-1-ol

3-[2-bromoprop-2-enyl(2,2,2-trifluoroethyl)amino]propan-1-ol (PubChem CID 111110111) has the molecular formula C8H13BrF3NO and a molecular weight of 276.10 g/mol. Its IUPAC name is 3-[2-bromoprop-2-enyl(2,2,2-trifluoroethyl)amino]propan-1-ol.

Molecular Properties

Compound Name3-[2-bromoprop-2-enyl(2,2,2-trifluoroethyl)amino]propan-1-ol
PubChem CID111110111
Molecular FormulaC8H13BrF3NO
Molecular Weight276.10 g/mol
Exact Mass275.01
IUPAC Name3-[2-bromoprop-2-enyl(2,2,2-trifluoroethyl)amino]propan-1-ol
SMILESC=C(Br)CN(CCCO)CC(F)(F)F
InChIInChI=1S/C8H13BrF3NO/c1-7(9)5-13(3-2-4-14)6-8(10,11)12/h14H,1-6H2
InChIKeyJTJBJIXBRQURGZ-UHFFFAOYSA-N
XLogP2.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.10
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-bromoprop-2-enyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The IUPAC name of 3-[2-bromoprop-2-enyl(2,2,2-trifluoroethyl)amino]propan-1-ol (CID 111110111) is 3-[2-bromoprop-2-enyl(2,2,2-trifluoroethyl)amino]propan-1-ol.
What is the SMILES notation for 3-[2-bromoprop-2-enyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The canonical SMILES for 3-[2-bromoprop-2-enyl(2,2,2-trifluoroethyl)amino]propan-1-ol is C=C(Br)CN(CCCO)CC(F)(F)F.
What is the InChIKey of 3-[2-bromoprop-2-enyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
The InChIKey is JTJBJIXBRQURGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13BrF3NO/c1-7(9)5-13(3-2-4-14)6-8(10,11)12/h14H,1-6H2.
What are the key properties of 3-[2-bromoprop-2-enyl(2,2,2-trifluoroethyl)amino]propan-1-ol?
3-[2-bromoprop-2-enyl(2,2,2-trifluoroethyl)amino]propan-1-ol has a molecular weight of 276.10 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-bromoprop-2-enyl(2,2,2-trifluoroethyl)amino]propan-1-ol is sourced from PubChem (CID 111110111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).