4-(3,5-difluorophenoxy)pentan-2-amine

C11H15F2NO — CID 64720470

IUPAC4-(3,5-difluorophenoxy)pentan-2-amine
SMILESCC(N)CC(C)Oc1cc(F)cc(F)c1
InChIInChI=1S/C11H15F2NO/c1-7(14)3-8(2)15-11-5-9(12)4-10(13)6-11/h4-8H,3,14H2,1-2H3
InChIKeyMQNASCQNYIHDFY-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.47
Rot. Bonds4

About 4-(3,5-difluorophenoxy)pentan-2-amine

4-(3,5-difluorophenoxy)pentan-2-amine (PubChem CID 64720470) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 4-(3,5-difluorophenoxy)pentan-2-amine.

Molecular Properties

Compound Name4-(3,5-difluorophenoxy)pentan-2-amine
PubChem CID64720470
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name4-(3,5-difluorophenoxy)pentan-2-amine
SMILESCC(N)CC(C)Oc1cc(F)cc(F)c1
InChIInChI=1S/C11H15F2NO/c1-7(14)3-8(2)15-11-5-9(12)4-10(13)6-11/h4-8H,3,14H2,1-2H3
InChIKeyMQNASCQNYIHDFY-UHFFFAOYSA-N
XLogP2.47
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-difluorophenoxy)pentan-2-amine?
The IUPAC name of 4-(3,5-difluorophenoxy)pentan-2-amine (CID 64720470) is 4-(3,5-difluorophenoxy)pentan-2-amine.
What is the SMILES notation for 4-(3,5-difluorophenoxy)pentan-2-amine?
The canonical SMILES for 4-(3,5-difluorophenoxy)pentan-2-amine is CC(N)CC(C)Oc1cc(F)cc(F)c1.
What is the InChIKey of 4-(3,5-difluorophenoxy)pentan-2-amine?
The InChIKey is MQNASCQNYIHDFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-7(14)3-8(2)15-11-5-9(12)4-10(13)6-11/h4-8H,3,14H2,1-2H3.
What are the key properties of 4-(3,5-difluorophenoxy)pentan-2-amine?
4-(3,5-difluorophenoxy)pentan-2-amine has a molecular weight of 215.24 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-difluorophenoxy)pentan-2-amine is sourced from PubChem (CID 64720470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).