5,5,5-trifluoro-1-(1-methoxycyclobutyl)pentan-2-amine

C10H18F3NO — CID 103559453

IUPAC5,5,5-trifluoro-1-(1-methoxycyclobutyl)pentan-2-amine
SMILESCOC1(CC(N)CCC(F)(F)F)CCC1
InChIInChI=1S/C10H18F3NO/c1-15-9(4-2-5-9)7-8(14)3-6-10(11,12)13/h8H,2-7,14H2,1H3
InChIKeyTXDYXGDOWZFKFT-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.62
Rot. Bonds5

About 5,5,5-trifluoro-1-(1-methoxycyclobutyl)pentan-2-amine

5,5,5-trifluoro-1-(1-methoxycyclobutyl)pentan-2-amine (PubChem CID 103559453) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 5,5,5-trifluoro-1-(1-methoxycyclobutyl)pentan-2-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-1-(1-methoxycyclobutyl)pentan-2-amine
PubChem CID103559453
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name5,5,5-trifluoro-1-(1-methoxycyclobutyl)pentan-2-amine
SMILESCOC1(CC(N)CCC(F)(F)F)CCC1
InChIInChI=1S/C10H18F3NO/c1-15-9(4-2-5-9)7-8(14)3-6-10(11,12)13/h8H,2-7,14H2,1H3
InChIKeyTXDYXGDOWZFKFT-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

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Related Compounds

1,1,1-Trifluoro-6-methoxy-6-methylheptan-4-amine
CID 103027354
8,8,8-trifluoro-2-methoxy-N,2-dimethyloctan-4-amine
CID 103028745
8,8,8-Trifluoro-2-methoxy-2-methyloctan-4-amine
CID 103028746
1,1,1-Trifluoro-6-methoxy-6-methylheptan-3-amine
CID 103032115
1,1,1-Trifluoro-7-methoxy-7-methyloctan-4-amine
CID 103032393
5,5,5-trifluoro-1-(1-methoxycyclobutyl)-N-propylpentan-2-amine
CID 103559451
5,5,5-trifluoro-1-(1-methoxycyclobutyl)-N-methylpentan-2-amine
CID 103559452
N-ethyl-6,6,6-trifluoro-1-(1-methoxycyclobutyl)hexan-2-amine
CID 103559715
6,6,6-trifluoro-1-(1-methoxycyclobutyl)-N-propylhexan-2-amine
CID 103559716
6,6,6-trifluoro-1-(1-methoxycyclobutyl)-N-methylhexan-2-amine
CID 103559717
6,6,6-Trifluoro-1-(1-methoxycyclobutyl)hexan-2-amine
CID 103559718
[5,5,5-Trifluoro-1-(1-methoxycyclobutyl)pentan-2-yl]hydrazine
CID 103560484

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-1-(1-methoxycyclobutyl)pentan-2-amine?
The IUPAC name of 5,5,5-trifluoro-1-(1-methoxycyclobutyl)pentan-2-amine (CID 103559453) is 5,5,5-trifluoro-1-(1-methoxycyclobutyl)pentan-2-amine.
What is the SMILES notation for 5,5,5-trifluoro-1-(1-methoxycyclobutyl)pentan-2-amine?
The canonical SMILES for 5,5,5-trifluoro-1-(1-methoxycyclobutyl)pentan-2-amine is COC1(CC(N)CCC(F)(F)F)CCC1.
What is the InChIKey of 5,5,5-trifluoro-1-(1-methoxycyclobutyl)pentan-2-amine?
The InChIKey is TXDYXGDOWZFKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-15-9(4-2-5-9)7-8(14)3-6-10(11,12)13/h8H,2-7,14H2,1H3.
What are the key properties of 5,5,5-trifluoro-1-(1-methoxycyclobutyl)pentan-2-amine?
5,5,5-trifluoro-1-(1-methoxycyclobutyl)pentan-2-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 5,5,5-trifluoro-1-(1-methoxycyclobutyl)pentan-2-amine is sourced from PubChem (CID 103559453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).