1-(2,2,2-trifluoroethoxymethyl)cyclopentan-1-amine

C8H14F3NO — CID 64572665

IUPAC1-(2,2,2-trifluoroethoxymethyl)cyclopentan-1-amine
SMILESNC1(COCC(F)(F)F)CCCC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)6-13-5-7(12)3-1-2-4-7/h1-6,12H2
InChIKeyDRLFHRPSEDFHPH-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.84
Rot. Bonds3

About 1-(2,2,2-trifluoroethoxymethyl)cyclopentan-1-amine

1-(2,2,2-trifluoroethoxymethyl)cyclopentan-1-amine (PubChem CID 64572665) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxymethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxymethyl)cyclopentan-1-amine
PubChem CID64572665
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name1-(2,2,2-trifluoroethoxymethyl)cyclopentan-1-amine
SMILESNC1(COCC(F)(F)F)CCCC1
InChIInChI=1S/C8H14F3NO/c9-8(10,11)6-13-5-7(12)3-1-2-4-7/h1-6,12H2
InChIKeyDRLFHRPSEDFHPH-UHFFFAOYSA-N
XLogP1.84
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethoxymethyl)cyclopentan-1-amine?
The IUPAC name of 1-(2,2,2-trifluoroethoxymethyl)cyclopentan-1-amine (CID 64572665) is 1-(2,2,2-trifluoroethoxymethyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxymethyl)cyclopentan-1-amine?
The canonical SMILES for 1-(2,2,2-trifluoroethoxymethyl)cyclopentan-1-amine is NC1(COCC(F)(F)F)CCCC1.
What is the InChIKey of 1-(2,2,2-trifluoroethoxymethyl)cyclopentan-1-amine?
The InChIKey is DRLFHRPSEDFHPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c9-8(10,11)6-13-5-7(12)3-1-2-4-7/h1-6,12H2.
What are the key properties of 1-(2,2,2-trifluoroethoxymethyl)cyclopentan-1-amine?
1-(2,2,2-trifluoroethoxymethyl)cyclopentan-1-amine has a molecular weight of 197.20 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethoxymethyl)cyclopentan-1-amine is sourced from PubChem (CID 64572665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).