5,5,5-trifluoro-N-[(3-methyloxetan-3-yl)methyl]pentan-1-amine

C10H18F3NO — CID 115519058

IUPAC5,5,5-trifluoro-N-[(3-methyloxetan-3-yl)methyl]pentan-1-amine
SMILESCC1(CNCCCCC(F)(F)F)COC1
InChIInChI=1S/C10H18F3NO/c1-9(7-15-8-9)6-14-5-3-2-4-10(11,12)13/h14H,2-8H2,1H3
InChIKeyDRDOSRQPQJLBEU-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.35
Rot. Bonds6

About 5,5,5-trifluoro-N-[(3-methyloxetan-3-yl)methyl]pentan-1-amine

5,5,5-trifluoro-N-[(3-methyloxetan-3-yl)methyl]pentan-1-amine (PubChem CID 115519058) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 5,5,5-trifluoro-N-[(3-methyloxetan-3-yl)methyl]pentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-N-[(3-methyloxetan-3-yl)methyl]pentan-1-amine
PubChem CID115519058
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name5,5,5-trifluoro-N-[(3-methyloxetan-3-yl)methyl]pentan-1-amine
SMILESCC1(CNCCCCC(F)(F)F)COC1
InChIInChI=1S/C10H18F3NO/c1-9(7-15-8-9)6-14-5-3-2-4-10(11,12)13/h14H,2-8H2,1H3
InChIKeyDRDOSRQPQJLBEU-UHFFFAOYSA-N
XLogP2.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.35
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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Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-N-[(3-methyloxetan-3-yl)methyl]pentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-N-[(3-methyloxetan-3-yl)methyl]pentan-1-amine (CID 115519058) is 5,5,5-trifluoro-N-[(3-methyloxetan-3-yl)methyl]pentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-N-[(3-methyloxetan-3-yl)methyl]pentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-N-[(3-methyloxetan-3-yl)methyl]pentan-1-amine is CC1(CNCCCCC(F)(F)F)COC1.
What is the InChIKey of 5,5,5-trifluoro-N-[(3-methyloxetan-3-yl)methyl]pentan-1-amine?
The InChIKey is DRDOSRQPQJLBEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-9(7-15-8-9)6-14-5-3-2-4-10(11,12)13/h14H,2-8H2,1H3.
What are the key properties of 5,5,5-trifluoro-N-[(3-methyloxetan-3-yl)methyl]pentan-1-amine?
5,5,5-trifluoro-N-[(3-methyloxetan-3-yl)methyl]pentan-1-amine has a molecular weight of 225.25 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-N-[(3-methyloxetan-3-yl)methyl]pentan-1-amine is sourced from PubChem (CID 115519058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).