[3-methyl-1-(3,3,3-trifluoropropoxy)cyclopentyl]methanamine

C10H18F3NO — CID 65051362

IUPAC[3-methyl-1-(3,3,3-trifluoropropoxy)cyclopentyl]methanamine
SMILESCC1CCC(CN)(OCCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-8-2-3-9(6-8,7-14)15-5-4-10(11,12)13/h8H,2-7,14H2,1H3
InChIKeyCTKYHRHMOSWVMQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.47
Rot. Bonds4

About [3-methyl-1-(3,3,3-trifluoropropoxy)cyclopentyl]methanamine

[3-methyl-1-(3,3,3-trifluoropropoxy)cyclopentyl]methanamine (PubChem CID 65051362) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is [3-methyl-1-(3,3,3-trifluoropropoxy)cyclopentyl]methanamine.

Molecular Properties

Compound Name[3-methyl-1-(3,3,3-trifluoropropoxy)cyclopentyl]methanamine
PubChem CID65051362
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name[3-methyl-1-(3,3,3-trifluoropropoxy)cyclopentyl]methanamine
SMILESCC1CCC(CN)(OCCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-8-2-3-9(6-8,7-14)15-5-4-10(11,12)13/h8H,2-7,14H2,1H3
InChIKeyCTKYHRHMOSWVMQ-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(3,3,3-trifluoropropoxy)cyclopentyl]methanamine?
The IUPAC name of [3-methyl-1-(3,3,3-trifluoropropoxy)cyclopentyl]methanamine (CID 65051362) is [3-methyl-1-(3,3,3-trifluoropropoxy)cyclopentyl]methanamine.
What is the SMILES notation for [3-methyl-1-(3,3,3-trifluoropropoxy)cyclopentyl]methanamine?
The canonical SMILES for [3-methyl-1-(3,3,3-trifluoropropoxy)cyclopentyl]methanamine is CC1CCC(CN)(OCCC(F)(F)F)C1.
What is the InChIKey of [3-methyl-1-(3,3,3-trifluoropropoxy)cyclopentyl]methanamine?
The InChIKey is CTKYHRHMOSWVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-8-2-3-9(6-8,7-14)15-5-4-10(11,12)13/h8H,2-7,14H2,1H3.
What are the key properties of [3-methyl-1-(3,3,3-trifluoropropoxy)cyclopentyl]methanamine?
[3-methyl-1-(3,3,3-trifluoropropoxy)cyclopentyl]methanamine has a molecular weight of 225.25 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(3,3,3-trifluoropropoxy)cyclopentyl]methanamine is sourced from PubChem (CID 65051362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).