1,1-difluoro-3-(2-methylpropylamino)propan-2-ol

C7H15F2NO — CID 80604484

IUPAC1,1-difluoro-3-(2-methylpropylamino)propan-2-ol
SMILESCC(C)CNCC(O)C(F)F
InChIInChI=1S/C7H15F2NO/c1-5(2)3-10-4-6(11)7(8)9/h5-7,10-11H,3-4H2,1-2H3
InChIKeyDQZATJGZFPAVEC-UHFFFAOYSA-N
MW167.20 g/mol
LogP0.86
Rot. Bonds5

About 1,1-difluoro-3-(2-methylpropylamino)propan-2-ol

1,1-difluoro-3-(2-methylpropylamino)propan-2-ol (PubChem CID 80604484) has the molecular formula C7H15F2NO and a molecular weight of 167.20 g/mol. Its IUPAC name is 1,1-difluoro-3-(2-methylpropylamino)propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-(2-methylpropylamino)propan-2-ol
PubChem CID80604484
Molecular FormulaC7H15F2NO
Molecular Weight167.20 g/mol
Exact Mass167.11
IUPAC Name1,1-difluoro-3-(2-methylpropylamino)propan-2-ol
SMILESCC(C)CNCC(O)C(F)F
InChIInChI=1S/C7H15F2NO/c1-5(2)3-10-4-6(11)7(8)9/h5-7,10-11H,3-4H2,1-2H3
InChIKeyDQZATJGZFPAVEC-UHFFFAOYSA-N
XLogP0.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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 1,1-difluoro-3-(2-methylpropylamino)propan-2-ol?
The IUPAC name of 1,1-difluoro-3-(2-methylpropylamino)propan-2-ol (CID 80604484) is 1,1-difluoro-3-(2-methylpropylamino)propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-(2-methylpropylamino)propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-(2-methylpropylamino)propan-2-ol is CC(C)CNCC(O)C(F)F.
What is the InChIKey of 1,1-difluoro-3-(2-methylpropylamino)propan-2-ol?
The InChIKey is DQZATJGZFPAVEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15F2NO/c1-5(2)3-10-4-6(11)7(8)9/h5-7,10-11H,3-4H2,1-2H3.
What are the key properties of 1,1-difluoro-3-(2-methylpropylamino)propan-2-ol?
1,1-difluoro-3-(2-methylpropylamino)propan-2-ol has a molecular weight of 167.20 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(2-methylpropylamino)propan-2-ol is sourced from PubChem (CID 80604484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).