2-cycloheptyloxy-N-(2,2,2-trifluoroethyl)propan-1-amine

C12H22F3NO — CID 55093172

IUPAC2-cycloheptyloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)OC1CCCCCC1
InChIInChI=1S/C12H22F3NO/c1-10(8-16-9-12(13,14)15)17-11-6-4-2-3-5-7-11/h10-11,16H,2-9H2,1H3
InChIKeyKJIDIKPYHIQPDB-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.27
Rot. Bonds5

About 2-cycloheptyloxy-N-(2,2,2-trifluoroethyl)propan-1-amine

2-cycloheptyloxy-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 55093172) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-cycloheptyloxy-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound Name2-cycloheptyloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID55093172
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name2-cycloheptyloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCC(CNCC(F)(F)F)OC1CCCCCC1
InChIInChI=1S/C12H22F3NO/c1-10(8-16-9-12(13,14)15)17-11-6-4-2-3-5-7-11/h10-11,16H,2-9H2,1H3
InChIKeyKJIDIKPYHIQPDB-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyloxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of 2-cycloheptyloxy-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 55093172) is 2-cycloheptyloxy-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for 2-cycloheptyloxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for 2-cycloheptyloxy-N-(2,2,2-trifluoroethyl)propan-1-amine is CC(CNCC(F)(F)F)OC1CCCCCC1.
What is the InChIKey of 2-cycloheptyloxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is KJIDIKPYHIQPDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-10(8-16-9-12(13,14)15)17-11-6-4-2-3-5-7-11/h10-11,16H,2-9H2,1H3.
What are the key properties of 2-cycloheptyloxy-N-(2,2,2-trifluoroethyl)propan-1-amine?
2-cycloheptyloxy-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 253.31 g/mol, XLogP of 3.27, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyloxy-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 55093172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).