[4-propyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine

C13H24F3NO — CID 65052269

IUPAC[4-propyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine
SMILESCCCC1CCC(CN)(OCCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO/c1-2-3-11-4-6-12(10-17,7-5-11)18-9-8-13(14,15)16/h11H,2-10,17H2,1H3
InChIKeyPBQGULUGQJUJDU-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.64
Rot. Bonds6

About [4-propyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine

[4-propyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine (PubChem CID 65052269) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is [4-propyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-propyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine
PubChem CID65052269
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name[4-propyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine
SMILESCCCC1CCC(CN)(OCCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3NO/c1-2-3-11-4-6-12(10-17,7-5-11)18-9-8-13(14,15)16/h11H,2-10,17H2,1H3
InChIKeyPBQGULUGQJUJDU-UHFFFAOYSA-N
XLogP3.64
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-propyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine?
The IUPAC name of [4-propyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine (CID 65052269) is [4-propyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine.
What is the SMILES notation for [4-propyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine?
The canonical SMILES for [4-propyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine is CCCC1CCC(CN)(OCCC(F)(F)F)CC1.
What is the InChIKey of [4-propyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine?
The InChIKey is PBQGULUGQJUJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-2-3-11-4-6-12(10-17,7-5-11)18-9-8-13(14,15)16/h11H,2-10,17H2,1H3.
What are the key properties of [4-propyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine?
[4-propyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine has a molecular weight of 267.33 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-propyl-1-(3,3,3-trifluoropropoxy)cyclohexyl]methanamine is sourced from PubChem (CID 65052269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).