4-(2,2-difluoroethylamino)-3-methylbutan-1-ol

C7H15F2NO — CID 66091631

IUPAC4-(2,2-difluoroethylamino)-3-methylbutan-1-ol
SMILESCC(CCO)CNCC(F)F
InChIInChI=1S/C7H15F2NO/c1-6(2-3-11)4-10-5-7(8)9/h6-7,10-11H,2-5H2,1H3
InChIKeyUJRXYSQFMURDPU-UHFFFAOYSA-N
MW167.20 g/mol
LogP0.86
Rot. Bonds6

About 4-(2,2-difluoroethylamino)-3-methylbutan-1-ol

4-(2,2-difluoroethylamino)-3-methylbutan-1-ol (PubChem CID 66091631) has the molecular formula C7H15F2NO and a molecular weight of 167.20 g/mol. Its IUPAC name is 4-(2,2-difluoroethylamino)-3-methylbutan-1-ol.

Molecular Properties

Compound Name4-(2,2-difluoroethylamino)-3-methylbutan-1-ol
PubChem CID66091631
Molecular FormulaC7H15F2NO
Molecular Weight167.20 g/mol
Exact Mass167.11
IUPAC Name4-(2,2-difluoroethylamino)-3-methylbutan-1-ol
SMILESCC(CCO)CNCC(F)F
InChIInChI=1S/C7H15F2NO/c1-6(2-3-11)4-10-5-7(8)9/h6-7,10-11H,2-5H2,1H3
InChIKeyUJRXYSQFMURDPU-UHFFFAOYSA-N
XLogP0.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethylamino)-3-methylbutan-1-ol?
The IUPAC name of 4-(2,2-difluoroethylamino)-3-methylbutan-1-ol (CID 66091631) is 4-(2,2-difluoroethylamino)-3-methylbutan-1-ol.
What is the SMILES notation for 4-(2,2-difluoroethylamino)-3-methylbutan-1-ol?
The canonical SMILES for 4-(2,2-difluoroethylamino)-3-methylbutan-1-ol is CC(CCO)CNCC(F)F.
What is the InChIKey of 4-(2,2-difluoroethylamino)-3-methylbutan-1-ol?
The InChIKey is UJRXYSQFMURDPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO/c1-6(2-3-11)4-10-5-7(8)9/h6-7,10-11H,2-5H2,1H3.
What are the key properties of 4-(2,2-difluoroethylamino)-3-methylbutan-1-ol?
4-(2,2-difluoroethylamino)-3-methylbutan-1-ol has a molecular weight of 167.20 g/mol, XLogP of 0.86, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethylamino)-3-methylbutan-1-ol is sourced from PubChem (CID 66091631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).