5-methoxy-3-(trifluoromethyl)pentan-1-amine

C7H14F3NO — CID 82534821

IUPAC5-methoxy-3-(trifluoromethyl)pentan-1-amine
SMILESCOCCC(CCN)C(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-12-5-3-6(2-4-11)7(8,9)10/h6H,2-5,11H2,1H3
InChIKeyOLEKAMZJZOWMSD-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.55
Rot. Bonds5

About 5-methoxy-3-(trifluoromethyl)pentan-1-amine

5-methoxy-3-(trifluoromethyl)pentan-1-amine (PubChem CID 82534821) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is 5-methoxy-3-(trifluoromethyl)pentan-1-amine.

Molecular Properties

Compound Name5-methoxy-3-(trifluoromethyl)pentan-1-amine
PubChem CID82534821
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name5-methoxy-3-(trifluoromethyl)pentan-1-amine
SMILESCOCCC(CCN)C(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-12-5-3-6(2-4-11)7(8,9)10/h6H,2-5,11H2,1H3
InChIKeyOLEKAMZJZOWMSD-UHFFFAOYSA-N
XLogP1.55
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Difluoro-2-(oxan-4-yl)ethan-1-amine
CID 57429865
Rel-2-((1s,3r)-3-(trifluoromethoxy)cyclobutyl)ethan-1-amine
CID 155103625
[3-Fluoro-3-(methoxymethyl)cyclobutyl]methanamine
CID 168857240
3,3-Difluoro-5-methoxypentan-1-amine
CID 170976389
2-Methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62505186
2-Ethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62505910
2-Ethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62505913
4,4,4-Trifluoro-2-(2-methoxyethyl)butan-1-amine
CID 82534530
5,5,5-Trifluoro-3-(2-methoxyethyl)pentan-1-amine
CID 82534577
5,5,5-Trifluoro-3-(methoxymethyl)pentan-1-amine
CID 82534581
5-(Difluoromethoxy)pentan-1-amine
CID 84716506
2-(Difluoromethoxymethyl)-4-methylpentan-1-amine
CID 84718526

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-3-(trifluoromethyl)pentan-1-amine?
The IUPAC name of 5-methoxy-3-(trifluoromethyl)pentan-1-amine (CID 82534821) is 5-methoxy-3-(trifluoromethyl)pentan-1-amine.
What is the SMILES notation for 5-methoxy-3-(trifluoromethyl)pentan-1-amine?
The canonical SMILES for 5-methoxy-3-(trifluoromethyl)pentan-1-amine is COCCC(CCN)C(F)(F)F.
What is the InChIKey of 5-methoxy-3-(trifluoromethyl)pentan-1-amine?
The InChIKey is OLEKAMZJZOWMSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-12-5-3-6(2-4-11)7(8,9)10/h6H,2-5,11H2,1H3.
What are the key properties of 5-methoxy-3-(trifluoromethyl)pentan-1-amine?
5-methoxy-3-(trifluoromethyl)pentan-1-amine has a molecular weight of 185.19 g/mol, XLogP of 1.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-3-(trifluoromethyl)pentan-1-amine is sourced from PubChem (CID 82534821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).