1-(4,4,4-trifluorobutoxymethyl)cyclopentan-1-amine

C10H18F3NO — CID 115514556

IUPAC1-(4,4,4-trifluorobutoxymethyl)cyclopentan-1-amine
SMILESNC1(COCCCC(F)(F)F)CCCC1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)6-3-7-15-8-9(14)4-1-2-5-9/h1-8,14H2
InChIKeyCJQVYQHIDGMPKY-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.62
Rot. Bonds5

About 1-(4,4,4-trifluorobutoxymethyl)cyclopentan-1-amine

1-(4,4,4-trifluorobutoxymethyl)cyclopentan-1-amine (PubChem CID 115514556) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-(4,4,4-trifluorobutoxymethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(4,4,4-trifluorobutoxymethyl)cyclopentan-1-amine
PubChem CID115514556
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name1-(4,4,4-trifluorobutoxymethyl)cyclopentan-1-amine
SMILESNC1(COCCCC(F)(F)F)CCCC1
InChIInChI=1S/C10H18F3NO/c11-10(12,13)6-3-7-15-8-9(14)4-1-2-5-9/h1-8,14H2
InChIKeyCJQVYQHIDGMPKY-UHFFFAOYSA-N
XLogP2.62
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 ≤ 52.62
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

1-[2-(2,2,2-Trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 62621224
1-[3-(2,2,2-Trifluoroethoxy)propyl]cyclopentan-1-amine
CID 62621601
1-(3,3,3-Trifluoropropoxymethyl)cyclopentan-1-amine
CID 64565498
1-(3,3,3-Trifluoropropoxymethyl)cyclohexan-1-amine
CID 64565499
1-(2,2-Difluoroethoxymethyl)cyclopentan-1-amine
CID 64571818
1-(2,2,2-Trifluoroethoxymethyl)cyclohexan-1-amine
CID 64571858
1-[2-(2,2,2-Trifluoroethoxy)ethoxymethyl]cyclopentan-1-amine
CID 64572036
1-(2,2,2-Trifluoroethoxymethyl)cyclopentan-1-amine
CID 64572665
1-[3-(2,2,2-Trifluoroethoxy)propoxymethyl]cyclopentan-1-amine
CID 64572668
1-(2,2-Difluoroethoxymethyl)cyclohexan-1-amine
CID 64574422
1-[2-(Trifluoromethoxy)ethoxymethyl]cyclopentan-1-amine
CID 65804570
1-(2-Fluoroethoxymethyl)cyclopentan-1-amine
CID 80694622

Frequently Asked Questions

What is the IUPAC name of 1-(4,4,4-trifluorobutoxymethyl)cyclopentan-1-amine?
The IUPAC name of 1-(4,4,4-trifluorobutoxymethyl)cyclopentan-1-amine (CID 115514556) is 1-(4,4,4-trifluorobutoxymethyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(4,4,4-trifluorobutoxymethyl)cyclopentan-1-amine?
The canonical SMILES for 1-(4,4,4-trifluorobutoxymethyl)cyclopentan-1-amine is NC1(COCCCC(F)(F)F)CCCC1.
What is the InChIKey of 1-(4,4,4-trifluorobutoxymethyl)cyclopentan-1-amine?
The InChIKey is CJQVYQHIDGMPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c11-10(12,13)6-3-7-15-8-9(14)4-1-2-5-9/h1-8,14H2.
What are the key properties of 1-(4,4,4-trifluorobutoxymethyl)cyclopentan-1-amine?
1-(4,4,4-trifluorobutoxymethyl)cyclopentan-1-amine has a molecular weight of 225.25 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4,4-trifluorobutoxymethyl)cyclopentan-1-amine is sourced from PubChem (CID 115514556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).