1-[di(propan-2-yl)amino]-3-fluoropropan-2-ol

C9H20FNO — CID 22975433

IUPAC1-[di(propan-2-yl)amino]-3-fluoropropan-2-ol
SMILESCC(C)N(CC(O)CF)C(C)C
InChIInChI=1S/C9H20FNO/c1-7(2)11(8(3)4)6-9(12)5-10/h7-9,12H,5-6H2,1-4H3
InChIKeyADZLOWBPJFDOHS-UHFFFAOYSA-N
MW177.26 g/mol
LogP1.44
Rot. Bonds5

About 1-[di(propan-2-yl)amino]-3-fluoropropan-2-ol

1-[di(propan-2-yl)amino]-3-fluoropropan-2-ol (PubChem CID 22975433) has the molecular formula C9H20FNO and a molecular weight of 177.26 g/mol. Its IUPAC name is 1-[di(propan-2-yl)amino]-3-fluoropropan-2-ol.

Molecular Properties

Compound Name1-[di(propan-2-yl)amino]-3-fluoropropan-2-ol
PubChem CID22975433
Molecular FormulaC9H20FNO
Molecular Weight177.26 g/mol
Exact Mass177.15
IUPAC Name1-[di(propan-2-yl)amino]-3-fluoropropan-2-ol
SMILESCC(C)N(CC(O)CF)C(C)C
InChIInChI=1S/C9H20FNO/c1-7(2)11(8(3)4)6-9(12)5-10/h7-9,12H,5-6H2,1-4H3
InChIKeyADZLOWBPJFDOHS-UHFFFAOYSA-N
XLogP1.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.26
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[di(propan-2-yl)amino]-3-fluoropropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[di(propan-2-yl)amino]-3-fluoropropan-2-ol?
The IUPAC name of 1-[di(propan-2-yl)amino]-3-fluoropropan-2-ol (CID 22975433) is 1-[di(propan-2-yl)amino]-3-fluoropropan-2-ol.
What is the SMILES notation for 1-[di(propan-2-yl)amino]-3-fluoropropan-2-ol?
The canonical SMILES for 1-[di(propan-2-yl)amino]-3-fluoropropan-2-ol is CC(C)N(CC(O)CF)C(C)C.
What is the InChIKey of 1-[di(propan-2-yl)amino]-3-fluoropropan-2-ol?
The InChIKey is ADZLOWBPJFDOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FNO/c1-7(2)11(8(3)4)6-9(12)5-10/h7-9,12H,5-6H2,1-4H3.
What are the key properties of 1-[di(propan-2-yl)amino]-3-fluoropropan-2-ol?
1-[di(propan-2-yl)amino]-3-fluoropropan-2-ol has a molecular weight of 177.26 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[di(propan-2-yl)amino]-3-fluoropropan-2-ol is sourced from PubChem (CID 22975433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).