3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine

C11H20F3NO — CID 64515528

IUPAC3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
SMILESCC1CCC(N)(CCCOCC(F)(F)F)C1
InChIInChI=1S/C11H20F3NO/c1-9-3-5-10(15,7-9)4-2-6-16-8-11(12,13)14/h9H,2-8,15H2,1H3
InChIKeyFOKVZXAQJDNUDM-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.86
Rot. Bonds5

About 3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine

3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine (PubChem CID 64515528) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine.

Molecular Properties

Compound Name3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
PubChem CID64515528
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
SMILESCC1CCC(N)(CCCOCC(F)(F)F)C1
InChIInChI=1S/C11H20F3NO/c1-9-3-5-10(15,7-9)4-2-6-16-8-11(12,13)14/h9H,2-8,15H2,1H3
InChIKeyFOKVZXAQJDNUDM-UHFFFAOYSA-N
XLogP2.86
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-Methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 55096248
3-Methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 62596894
4-Propyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 62596907
1-[3-(2,2,2-Trifluoroethoxy)propyl]cyclopentan-1-amine
CID 62621601
4-Ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 62621972
3-Ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 64243950
3-Ethyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 64514345
3-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 64514563
3-Ethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine
CID 64515536
4-Ethyl-1-(2,2,2-trifluoroethoxy)octan-4-amine
CID 65020369
4-Butyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
CID 65020503
1-Fluoro-1-(2-methoxycyclopentyl)-2-methylpropan-2-amine
CID 130589495

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine?
The IUPAC name of 3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine (CID 64515528) is 3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine.
What is the SMILES notation for 3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine?
The canonical SMILES for 3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine is CC1CCC(N)(CCCOCC(F)(F)F)C1.
What is the InChIKey of 3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine?
The InChIKey is FOKVZXAQJDNUDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-9-3-5-10(15,7-9)4-2-6-16-8-11(12,13)14/h9H,2-8,15H2,1H3.
What are the key properties of 3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine?
3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine has a molecular weight of 239.28 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclopentan-1-amine is sourced from PubChem (CID 64515528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).