(3R)-1,1,1-trifluoro-5-methoxy-4-methylpentan-3-amine

C7H14F3NO — CID 104941338

IUPAC(3R)-1,1,1-trifluoro-5-methoxy-4-methylpentan-3-amine
SMILESCOCC(C)[C@H](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/t5?,6-/m1/s1
InChIKeyAPUQKFDQIRYUHI-PRJDIBJQSA-N
MW185.19 g/mol
LogP1.55
Rot. Bonds4

About (3R)-1,1,1-trifluoro-5-methoxy-4-methylpentan-3-amine

(3R)-1,1,1-trifluoro-5-methoxy-4-methylpentan-3-amine (PubChem CID 104941338) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is (3R)-1,1,1-trifluoro-5-methoxy-4-methylpentan-3-amine.

Molecular Properties

Compound Name(3R)-1,1,1-trifluoro-5-methoxy-4-methylpentan-3-amine
PubChem CID104941338
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name(3R)-1,1,1-trifluoro-5-methoxy-4-methylpentan-3-amine
SMILESCOCC(C)[C@H](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/t5?,6-/m1/s1
InChIKeyAPUQKFDQIRYUHI-PRJDIBJQSA-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 (3R)-1,1,1-trifluoro-5-methoxy-4-methylpentan-3-amine?
The IUPAC name of (3R)-1,1,1-trifluoro-5-methoxy-4-methylpentan-3-amine (CID 104941338) is (3R)-1,1,1-trifluoro-5-methoxy-4-methylpentan-3-amine.
What is the SMILES notation for (3R)-1,1,1-trifluoro-5-methoxy-4-methylpentan-3-amine?
The canonical SMILES for (3R)-1,1,1-trifluoro-5-methoxy-4-methylpentan-3-amine is COCC(C)[C@H](N)CC(F)(F)F.
What is the InChIKey of (3R)-1,1,1-trifluoro-5-methoxy-4-methylpentan-3-amine?
The InChIKey is APUQKFDQIRYUHI-PRJDIBJQSA-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/t5?,6-/m1/s1.
What are the key properties of (3R)-1,1,1-trifluoro-5-methoxy-4-methylpentan-3-amine?
(3R)-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 (3R)-1,1,1-trifluoro-5-methoxy-4-methylpentan-3-amine is sourced from PubChem (CID 104941338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).