1-amino-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carboxamide

C10H17F3N2O2 — CID 82791562

IUPAC1-amino-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carboxamide
SMILESNC(=O)C1(N)CCC(OCCCC(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)3-1-5-17-7-2-4-9(15,6-7)8(14)16/h7H,1-6,15H2,(H2,14,16)
InChIKeyDPHDTKMZCVUCRB-UHFFFAOYSA-N
MW254.25 g/mol
LogP1.08
Rot. Bonds5

About 1-amino-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carboxamide

1-amino-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carboxamide (PubChem CID 82791562) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-amino-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-amino-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carboxamide
PubChem CID82791562
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC Name1-amino-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carboxamide
SMILESNC(=O)C1(N)CCC(OCCCC(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)3-1-5-17-7-2-4-9(15,6-7)8(14)16/h7H,1-6,15H2,(H2,14,16)
InChIKeyDPHDTKMZCVUCRB-UHFFFAOYSA-N
XLogP1.08
TPSA78.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carboxamide?
The IUPAC name of 1-amino-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carboxamide (CID 82791562) is 1-amino-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carboxamide.
What is the SMILES notation for 1-amino-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carboxamide?
The canonical SMILES for 1-amino-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carboxamide is NC(=O)C1(N)CCC(OCCCC(F)(F)F)C1.
What is the InChIKey of 1-amino-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carboxamide?
The InChIKey is DPHDTKMZCVUCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c11-10(12,13)3-1-5-17-7-2-4-9(15,6-7)8(14)16/h7H,1-6,15H2,(H2,14,16).
What are the key properties of 1-amino-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carboxamide?
1-amino-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carboxamide has a molecular weight of 254.25 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(4,4,4-trifluorobutoxy)cyclopentane-1-carboxamide is sourced from PubChem (CID 82791562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).