4-(2,2-difluoroethoxy)pentan-2-amine

C7H15F2NO — CID 82004351

IUPAC4-(2,2-difluoroethoxy)pentan-2-amine
SMILESCC(N)CC(C)OCC(F)F
InChIInChI=1S/C7H15F2NO/c1-5(10)3-6(2)11-4-7(8)9/h5-7H,3-4,10H2,1-2H3
InChIKeyFVFCESBPHWZVPB-UHFFFAOYSA-N
MW167.20 g/mol
LogP1.39
Rot. Bonds5

About 4-(2,2-difluoroethoxy)pentan-2-amine

4-(2,2-difluoroethoxy)pentan-2-amine (PubChem CID 82004351) has the molecular formula C7H15F2NO and a molecular weight of 167.20 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)pentan-2-amine.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)pentan-2-amine
PubChem CID82004351
Molecular FormulaC7H15F2NO
Molecular Weight167.20 g/mol
Exact Mass167.11
IUPAC Name4-(2,2-difluoroethoxy)pentan-2-amine
SMILESCC(N)CC(C)OCC(F)F
InChIInChI=1S/C7H15F2NO/c1-5(10)3-6(2)11-4-7(8)9/h5-7H,3-4,10H2,1-2H3
InChIKeyFVFCESBPHWZVPB-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)pentan-2-amine?
The IUPAC name of 4-(2,2-difluoroethoxy)pentan-2-amine (CID 82004351) is 4-(2,2-difluoroethoxy)pentan-2-amine.
What is the SMILES notation for 4-(2,2-difluoroethoxy)pentan-2-amine?
The canonical SMILES for 4-(2,2-difluoroethoxy)pentan-2-amine is CC(N)CC(C)OCC(F)F.
What is the InChIKey of 4-(2,2-difluoroethoxy)pentan-2-amine?
The InChIKey is FVFCESBPHWZVPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO/c1-5(10)3-6(2)11-4-7(8)9/h5-7H,3-4,10H2,1-2H3.
What are the key properties of 4-(2,2-difluoroethoxy)pentan-2-amine?
4-(2,2-difluoroethoxy)pentan-2-amine has a molecular weight of 167.20 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)pentan-2-amine is sourced from PubChem (CID 82004351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).