1,1,1-trifluoro-5-methoxy-4-methylpentan-3-amine

C7H14F3NO — CID 115625035

IUPAC1,1,1-trifluoro-5-methoxy-4-methylpentan-3-amine
SMILESCOCC(C)C(N)CC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-5(4-12-2)6(11)3-7(8,9)10/h5-6H,3-4,11H2,1-2H3
InChIKeyAPUQKFDQIRYUHI-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.55
Rot. Bonds4

About 1,1,1-trifluoro-5-methoxy-4-methylpentan-3-amine

1,1,1-trifluoro-5-methoxy-4-methylpentan-3-amine (PubChem CID 115625035) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-methoxy-4-methylpentan-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-5-methoxy-4-methylpentan-3-amine
PubChem CID115625035
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name1,1,1-trifluoro-5-methoxy-4-methylpentan-3-amine
SMILESCOCC(C)C(N)CC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-5(4-12-2)6(11)3-7(8,9)10/h5-6H,3-4,11H2,1-2H3
InChIKeyAPUQKFDQIRYUHI-UHFFFAOYSA-N
XLogP1.55
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 ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-5-methoxy-4-methylpentan-3-amine?
The IUPAC name of 1,1,1-trifluoro-5-methoxy-4-methylpentan-3-amine (CID 115625035) is 1,1,1-trifluoro-5-methoxy-4-methylpentan-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-5-methoxy-4-methylpentan-3-amine?
The canonical SMILES for 1,1,1-trifluoro-5-methoxy-4-methylpentan-3-amine is COCC(C)C(N)CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-5-methoxy-4-methylpentan-3-amine?
The InChIKey is APUQKFDQIRYUHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-5(4-12-2)6(11)3-7(8,9)10/h5-6H,3-4,11H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-5-methoxy-4-methylpentan-3-amine?
1,1,1-trifluoro-5-methoxy-4-methylpentan-3-amine has a molecular weight of 185.19 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-5-methoxy-4-methylpentan-3-amine is sourced from PubChem (CID 115625035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).