5,5,5-trifluoro-3-methoxy-3-methylpentan-1-amine

C7H14F3NO — CID 105441478

IUPAC5,5,5-trifluoro-3-methoxy-3-methylpentan-1-amine
SMILESCOC(C)(CCN)CC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-6(12-2,3-4-11)5-7(8,9)10/h3-5,11H2,1-2H3
InChIKeyZXVFKSFVAMQBBE-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.69
Rot. Bonds4

About 5,5,5-trifluoro-3-methoxy-3-methylpentan-1-amine

5,5,5-trifluoro-3-methoxy-3-methylpentan-1-amine (PubChem CID 105441478) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is 5,5,5-trifluoro-3-methoxy-3-methylpentan-1-amine.

Molecular Properties

Compound Name5,5,5-trifluoro-3-methoxy-3-methylpentan-1-amine
PubChem CID105441478
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name5,5,5-trifluoro-3-methoxy-3-methylpentan-1-amine
SMILESCOC(C)(CCN)CC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-6(12-2,3-4-11)5-7(8,9)10/h3-5,11H2,1-2H3
InChIKeyZXVFKSFVAMQBBE-UHFFFAOYSA-N
XLogP1.69
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-Difluoro-2-(1-methoxycyclobutyl)ethan-1-amine hydrochloride
CID 137964490
1-Amino-3-(trifluoromethyl)pentan-3-ol
CID 83914529
(2R)-2-fluoro-3-methoxy-3-methylbutan-1-amine
CID 158593338
2-(Difluoromethoxy)-2-ethylbutan-1-amine
CID 65050968
3-(Difluoromethoxy)-4-methylpentan-1-amine
CID 84717202
5-Amino-1,1,1-trifluoro-3-methylpentan-3-ol
CID 84765885
4,4,4-Trifluoro-3-methoxy-3-methylbutan-1-amine
CID 105434675
3-Ethoxy-4,4,4-trifluoro-3-methylbutan-1-amine
CID 105441483
3-Ethoxy-5,5,5-trifluoro-3-methylpentan-1-amine
CID 105452013
4,4,4-Trifluoro-3-methoxy-3-(trifluoromethyl)butan-1-amine
CID 105482747
1,1,1-Trifluoro-4-methoxy-4-methylpentan-2-amine
CID 106676422
1,1-Difluoro-4-methoxy-4-methylpentan-2-amine
CID 106676426

Frequently Asked Questions

What is the IUPAC name of 5,5,5-trifluoro-3-methoxy-3-methylpentan-1-amine?
The IUPAC name of 5,5,5-trifluoro-3-methoxy-3-methylpentan-1-amine (CID 105441478) is 5,5,5-trifluoro-3-methoxy-3-methylpentan-1-amine.
What is the SMILES notation for 5,5,5-trifluoro-3-methoxy-3-methylpentan-1-amine?
The canonical SMILES for 5,5,5-trifluoro-3-methoxy-3-methylpentan-1-amine is COC(C)(CCN)CC(F)(F)F.
What is the InChIKey of 5,5,5-trifluoro-3-methoxy-3-methylpentan-1-amine?
The InChIKey is ZXVFKSFVAMQBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-6(12-2,3-4-11)5-7(8,9)10/h3-5,11H2,1-2H3.
What are the key properties of 5,5,5-trifluoro-3-methoxy-3-methylpentan-1-amine?
5,5,5-trifluoro-3-methoxy-3-methylpentan-1-amine has a molecular weight of 185.19 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5,5-trifluoro-3-methoxy-3-methylpentan-1-amine is sourced from PubChem (CID 105441478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).