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

C9H16F3NO — CID 65050814

IUPAC[1-(3,3,3-trifluoropropoxy)cyclopentyl]methanamine
SMILESNCC1(OCCC(F)(F)F)CCCC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)5-6-14-8(7-13)3-1-2-4-8/h1-7,13H2
InChIKeyHDVZLOJKZPWTEL-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.23
Rot. Bonds4

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

[1-(3,3,3-trifluoropropoxy)cyclopentyl]methanamine (PubChem CID 65050814) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is [1-(3,3,3-trifluoropropoxy)cyclopentyl]methanamine.

Molecular Properties

Compound Name[1-(3,3,3-trifluoropropoxy)cyclopentyl]methanamine
PubChem CID65050814
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name[1-(3,3,3-trifluoropropoxy)cyclopentyl]methanamine
SMILESNCC1(OCCC(F)(F)F)CCCC1
InChIInChI=1S/C9H16F3NO/c10-9(11,12)5-6-14-8(7-13)3-1-2-4-8/h1-7,13H2
InChIKeyHDVZLOJKZPWTEL-UHFFFAOYSA-N
XLogP2.23
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3,3,3-trifluoropropoxy)cyclopentyl]methanamine?
The IUPAC name of [1-(3,3,3-trifluoropropoxy)cyclopentyl]methanamine (CID 65050814) is [1-(3,3,3-trifluoropropoxy)cyclopentyl]methanamine.
What is the SMILES notation for [1-(3,3,3-trifluoropropoxy)cyclopentyl]methanamine?
The canonical SMILES for [1-(3,3,3-trifluoropropoxy)cyclopentyl]methanamine is NCC1(OCCC(F)(F)F)CCCC1.
What is the InChIKey of [1-(3,3,3-trifluoropropoxy)cyclopentyl]methanamine?
The InChIKey is HDVZLOJKZPWTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c10-9(11,12)5-6-14-8(7-13)3-1-2-4-8/h1-7,13H2.
What are the key properties of [1-(3,3,3-trifluoropropoxy)cyclopentyl]methanamine?
[1-(3,3,3-trifluoropropoxy)cyclopentyl]methanamine has a molecular weight of 211.23 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3,3,3-trifluoropropoxy)cyclopentyl]methanamine is sourced from PubChem (CID 65050814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).