2,2-difluoro-3-propan-2-yloxypropan-1-amine

C6H13F2NO — CID 58303686

IUPAC2,2-difluoro-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCC(F)(F)CN
InChIInChI=1S/C6H13F2NO/c1-5(2)10-4-6(7,8)3-9/h5H,3-4,9H2,1-2H3
InChIKeyLRSAZXCBBDGVFU-UHFFFAOYSA-N
MW153.17 g/mol
LogP1.01
Rot. Bonds4

About 2,2-difluoro-3-propan-2-yloxypropan-1-amine

2,2-difluoro-3-propan-2-yloxypropan-1-amine (PubChem CID 58303686) has the molecular formula C6H13F2NO and a molecular weight of 153.17 g/mol. Its IUPAC name is 2,2-difluoro-3-propan-2-yloxypropan-1-amine.

Molecular Properties

Compound Name2,2-difluoro-3-propan-2-yloxypropan-1-amine
PubChem CID58303686
Molecular FormulaC6H13F2NO
Molecular Weight153.17 g/mol
Exact Mass153.10
IUPAC Name2,2-difluoro-3-propan-2-yloxypropan-1-amine
SMILESCC(C)OCC(F)(F)CN
InChIInChI=1S/C6H13F2NO/c1-5(2)10-4-6(7,8)3-9/h5H,3-4,9H2,1-2H3
InChIKeyLRSAZXCBBDGVFU-UHFFFAOYSA-N
XLogP1.01
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.17
LogP ≤ 51.01
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-propan-2-yloxypropan-1-amine?
The IUPAC name of 2,2-difluoro-3-propan-2-yloxypropan-1-amine (CID 58303686) is 2,2-difluoro-3-propan-2-yloxypropan-1-amine.
What is the SMILES notation for 2,2-difluoro-3-propan-2-yloxypropan-1-amine?
The canonical SMILES for 2,2-difluoro-3-propan-2-yloxypropan-1-amine is CC(C)OCC(F)(F)CN.
What is the InChIKey of 2,2-difluoro-3-propan-2-yloxypropan-1-amine?
The InChIKey is LRSAZXCBBDGVFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F2NO/c1-5(2)10-4-6(7,8)3-9/h5H,3-4,9H2,1-2H3.
What are the key properties of 2,2-difluoro-3-propan-2-yloxypropan-1-amine?
2,2-difluoro-3-propan-2-yloxypropan-1-amine has a molecular weight of 153.17 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-propan-2-yloxypropan-1-amine is sourced from PubChem (CID 58303686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).