(3R)-1-ethoxy-1,1-difluoropentan-3-amine

C7H15F2NO — CID 170384078

IUPAC(3R)-1-ethoxy-1,1-difluoropentan-3-amine
SMILESCCOC(F)(F)C[C@H](N)CC
InChIInChI=1S/C7H15F2NO/c1-3-6(10)5-7(8,9)11-4-2/h6H,3-5,10H2,1-2H3/t6-/m1/s1
InChIKeyUBRUYZVCZBBIAL-ZCFIWIBFSA-N
MW167.20 g/mol
LogP1.74
Rot. Bonds5

About (3R)-1-ethoxy-1,1-difluoropentan-3-amine

(3R)-1-ethoxy-1,1-difluoropentan-3-amine (PubChem CID 170384078) has the molecular formula C7H15F2NO and a molecular weight of 167.20 g/mol. Its IUPAC name is (3R)-1-ethoxy-1,1-difluoropentan-3-amine.

Molecular Properties

Compound Name(3R)-1-ethoxy-1,1-difluoropentan-3-amine
PubChem CID170384078
Molecular FormulaC7H15F2NO
Molecular Weight167.20 g/mol
Exact Mass167.11
IUPAC Name(3R)-1-ethoxy-1,1-difluoropentan-3-amine
SMILESCCOC(F)(F)C[C@H](N)CC
InChIInChI=1S/C7H15F2NO/c1-3-6(10)5-7(8,9)11-4-2/h6H,3-5,10H2,1-2H3/t6-/m1/s1
InChIKeyUBRUYZVCZBBIAL-ZCFIWIBFSA-N
XLogP1.74
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethoxy-1,1-difluoropentan-3-amine?
The IUPAC name of (3R)-1-ethoxy-1,1-difluoropentan-3-amine (CID 170384078) is (3R)-1-ethoxy-1,1-difluoropentan-3-amine.
What is the SMILES notation for (3R)-1-ethoxy-1,1-difluoropentan-3-amine?
The canonical SMILES for (3R)-1-ethoxy-1,1-difluoropentan-3-amine is CCOC(F)(F)C[C@H](N)CC.
What is the InChIKey of (3R)-1-ethoxy-1,1-difluoropentan-3-amine?
The InChIKey is UBRUYZVCZBBIAL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H15F2NO/c1-3-6(10)5-7(8,9)11-4-2/h6H,3-5,10H2,1-2H3/t6-/m1/s1.
What are the key properties of (3R)-1-ethoxy-1,1-difluoropentan-3-amine?
(3R)-1-ethoxy-1,1-difluoropentan-3-amine has a molecular weight of 167.20 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethoxy-1,1-difluoropentan-3-amine is sourced from PubChem (CID 170384078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).