3-(cyclopentylmethoxy)-4,4,4-trifluorobutan-1-amine

C10H18F3NO — CID 66322383

IUPAC3-(cyclopentylmethoxy)-4,4,4-trifluorobutan-1-amine
SMILESNCCC(OCC1CCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c11-10(12,13)9(5-6-14)15-7-8-3-1-2-4-8/h8-9H,1-7,14H2
InChIKeyOLOPLIPHUJWBCQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.47
Rot. Bonds5

About 3-(cyclopentylmethoxy)-4,4,4-trifluorobutan-1-amine

3-(cyclopentylmethoxy)-4,4,4-trifluorobutan-1-amine (PubChem CID 66322383) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 3-(cyclopentylmethoxy)-4,4,4-trifluorobutan-1-amine.

Molecular Properties

Compound Name3-(cyclopentylmethoxy)-4,4,4-trifluorobutan-1-amine
PubChem CID66322383
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name3-(cyclopentylmethoxy)-4,4,4-trifluorobutan-1-amine
SMILESNCCC(OCC1CCCC1)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c11-10(12,13)9(5-6-14)15-7-8-3-1-2-4-8/h8-9H,1-7,14H2
InChIKeyOLOPLIPHUJWBCQ-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

Analyze 3-(cyclopentylmethoxy)-4,4,4-trifluorobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylmethoxy)-4,4,4-trifluorobutan-1-amine?
The IUPAC name of 3-(cyclopentylmethoxy)-4,4,4-trifluorobutan-1-amine (CID 66322383) is 3-(cyclopentylmethoxy)-4,4,4-trifluorobutan-1-amine.
What is the SMILES notation for 3-(cyclopentylmethoxy)-4,4,4-trifluorobutan-1-amine?
The canonical SMILES for 3-(cyclopentylmethoxy)-4,4,4-trifluorobutan-1-amine is NCCC(OCC1CCCC1)C(F)(F)F.
What is the InChIKey of 3-(cyclopentylmethoxy)-4,4,4-trifluorobutan-1-amine?
The InChIKey is OLOPLIPHUJWBCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)9(5-6-14)15-7-8-3-1-2-4-8/h8-9H,1-7,14H2.
What are the key properties of 3-(cyclopentylmethoxy)-4,4,4-trifluorobutan-1-amine?
3-(cyclopentylmethoxy)-4,4,4-trifluorobutan-1-amine has a molecular weight of 225.25 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylmethoxy)-4,4,4-trifluorobutan-1-amine is sourced from PubChem (CID 66322383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).