2-(cyclohexylmethoxy)-1,1,1-trifluoropentan-3-amine

C12H22F3NO — CID 62382934

IUPAC2-(cyclohexylmethoxy)-1,1,1-trifluoropentan-3-amine
SMILESCCC(N)C(OCC1CCCCC1)C(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-2-10(16)11(12(13,14)15)17-8-9-6-4-3-5-7-9/h9-11H,2-8,16H2,1H3
InChIKeyDGPNBEQHUSPHAD-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.25
Rot. Bonds5

About 2-(cyclohexylmethoxy)-1,1,1-trifluoropentan-3-amine

2-(cyclohexylmethoxy)-1,1,1-trifluoropentan-3-amine (PubChem CID 62382934) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-(cyclohexylmethoxy)-1,1,1-trifluoropentan-3-amine.

Molecular Properties

Compound Name2-(cyclohexylmethoxy)-1,1,1-trifluoropentan-3-amine
PubChem CID62382934
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name2-(cyclohexylmethoxy)-1,1,1-trifluoropentan-3-amine
SMILESCCC(N)C(OCC1CCCCC1)C(F)(F)F
InChIInChI=1S/C12H22F3NO/c1-2-10(16)11(12(13,14)15)17-8-9-6-4-3-5-7-9/h9-11H,2-8,16H2,1H3
InChIKeyDGPNBEQHUSPHAD-UHFFFAOYSA-N
XLogP3.25
TPSA35.25 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 ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylmethoxy)-1,1,1-trifluoropentan-3-amine?
The IUPAC name of 2-(cyclohexylmethoxy)-1,1,1-trifluoropentan-3-amine (CID 62382934) is 2-(cyclohexylmethoxy)-1,1,1-trifluoropentan-3-amine.
What is the SMILES notation for 2-(cyclohexylmethoxy)-1,1,1-trifluoropentan-3-amine?
The canonical SMILES for 2-(cyclohexylmethoxy)-1,1,1-trifluoropentan-3-amine is CCC(N)C(OCC1CCCCC1)C(F)(F)F.
What is the InChIKey of 2-(cyclohexylmethoxy)-1,1,1-trifluoropentan-3-amine?
The InChIKey is DGPNBEQHUSPHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-2-10(16)11(12(13,14)15)17-8-9-6-4-3-5-7-9/h9-11H,2-8,16H2,1H3.
What are the key properties of 2-(cyclohexylmethoxy)-1,1,1-trifluoropentan-3-amine?
2-(cyclohexylmethoxy)-1,1,1-trifluoropentan-3-amine has a molecular weight of 253.31 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethoxy)-1,1,1-trifluoropentan-3-amine is sourced from PubChem (CID 62382934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).