[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine

C12H22F3NO — CID 62111253

IUPAC[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)(OCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-9(2)10-3-5-11(7-16,6-4-10)17-8-12(13,14)15/h9-10H,3-8,16H2,1-2H3
InChIKeyWRJKBTDKWKJMMT-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.11
Rot. Bonds4

About [4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine

[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine (PubChem CID 62111253) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is [4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
PubChem CID62111253
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine
SMILESCC(C)C1CCC(CN)(OCC(F)(F)F)CC1
InChIInChI=1S/C12H22F3NO/c1-9(2)10-3-5-11(7-16,6-4-10)17-8-12(13,14)15/h9-10H,3-8,16H2,1-2H3
InChIKeyWRJKBTDKWKJMMT-UHFFFAOYSA-N
XLogP3.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The IUPAC name of [4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine (CID 62111253) is [4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine.
What is the SMILES notation for [4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The canonical SMILES for [4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine is CC(C)C1CCC(CN)(OCC(F)(F)F)CC1.
What is the InChIKey of [4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
The InChIKey is WRJKBTDKWKJMMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-9(2)10-3-5-11(7-16,6-4-10)17-8-12(13,14)15/h9-10H,3-8,16H2,1-2H3.
What are the key properties of [4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine?
[4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine has a molecular weight of 253.31 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propan-2-yl-1-(2,2,2-trifluoroethoxy)cyclohexyl]methanamine is sourced from PubChem (CID 62111253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).