2,2-difluoro-3-(2-methylpropoxy)propan-1-amine

C7H15F2NO — CID 138478658

IUPAC2,2-difluoro-3-(2-methylpropoxy)propan-1-amine
SMILESCC(C)COCC(F)(F)CN
InChIInChI=1S/C7H15F2NO/c1-6(2)3-11-5-7(8,9)4-10/h6H,3-5,10H2,1-2H3
InChIKeySYYRPAKKNDSANU-UHFFFAOYSA-N
MW167.20 g/mol
LogP1.25
Rot. Bonds5

About 2,2-difluoro-3-(2-methylpropoxy)propan-1-amine

2,2-difluoro-3-(2-methylpropoxy)propan-1-amine (PubChem CID 138478658) has the molecular formula C7H15F2NO and a molecular weight of 167.20 g/mol. Its IUPAC name is 2,2-difluoro-3-(2-methylpropoxy)propan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-3-(2-methylpropoxy)propan-1-amine
PubChem CID138478658
Molecular FormulaC7H15F2NO
Molecular Weight167.20 g/mol
Exact Mass167.11
IUPAC Name2,2-difluoro-3-(2-methylpropoxy)propan-1-amine
SMILESCC(C)COCC(F)(F)CN
InChIInChI=1S/C7H15F2NO/c1-6(2)3-11-5-7(8,9)4-10/h6H,3-5,10H2,1-2H3
InChIKeySYYRPAKKNDSANU-UHFFFAOYSA-N
XLogP1.25
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 ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(2-methylpropoxy)propan-1-amine?
The IUPAC name of 2,2-difluoro-3-(2-methylpropoxy)propan-1-amine (CID 138478658) is 2,2-difluoro-3-(2-methylpropoxy)propan-1-amine.
What is the SMILES notation for 2,2-difluoro-3-(2-methylpropoxy)propan-1-amine?
The canonical SMILES for 2,2-difluoro-3-(2-methylpropoxy)propan-1-amine is CC(C)COCC(F)(F)CN.
What is the InChIKey of 2,2-difluoro-3-(2-methylpropoxy)propan-1-amine?
The InChIKey is SYYRPAKKNDSANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO/c1-6(2)3-11-5-7(8,9)4-10/h6H,3-5,10H2,1-2H3.
What are the key properties of 2,2-difluoro-3-(2-methylpropoxy)propan-1-amine?
2,2-difluoro-3-(2-methylpropoxy)propan-1-amine has a molecular weight of 167.20 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(2-methylpropoxy)propan-1-amine is sourced from PubChem (CID 138478658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).