2,2-difluoro-3-(heptan-3-ylamino)propan-1-ol

C10H21F2NO — CID 104860428

IUPAC2,2-difluoro-3-(heptan-3-ylamino)propan-1-ol
SMILESCCCCC(CC)NCC(F)(F)CO
InChIInChI=1S/C10H21F2NO/c1-3-5-6-9(4-2)13-7-10(11,12)8-14/h9,13-14H,3-8H2,1-2H3
InChIKeyRFONNZXCXZOGJN-UHFFFAOYSA-N
MW209.28 g/mol
LogP2.17
Rot. Bonds8

About 2,2-difluoro-3-(heptan-3-ylamino)propan-1-ol

2,2-difluoro-3-(heptan-3-ylamino)propan-1-ol (PubChem CID 104860428) has the molecular formula C10H21F2NO and a molecular weight of 209.28 g/mol. Its IUPAC name is 2,2-difluoro-3-(heptan-3-ylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(heptan-3-ylamino)propan-1-ol
PubChem CID104860428
Molecular FormulaC10H21F2NO
Molecular Weight209.28 g/mol
Exact Mass209.16
IUPAC Name2,2-difluoro-3-(heptan-3-ylamino)propan-1-ol
SMILESCCCCC(CC)NCC(F)(F)CO
InChIInChI=1S/C10H21F2NO/c1-3-5-6-9(4-2)13-7-10(11,12)8-14/h9,13-14H,3-8H2,1-2H3
InChIKeyRFONNZXCXZOGJN-UHFFFAOYSA-N
XLogP2.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.28
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2,2-difluoro-3-(heptan-3-ylamino)propan-1-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 2,2-difluoro-3-(heptan-3-ylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(heptan-3-ylamino)propan-1-ol (CID 104860428) is 2,2-difluoro-3-(heptan-3-ylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(heptan-3-ylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(heptan-3-ylamino)propan-1-ol is CCCCC(CC)NCC(F)(F)CO.
What is the InChIKey of 2,2-difluoro-3-(heptan-3-ylamino)propan-1-ol?
The InChIKey is RFONNZXCXZOGJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21F2NO/c1-3-5-6-9(4-2)13-7-10(11,12)8-14/h9,13-14H,3-8H2,1-2H3.
What are the key properties of 2,2-difluoro-3-(heptan-3-ylamino)propan-1-ol?
2,2-difluoro-3-(heptan-3-ylamino)propan-1-ol has a molecular weight of 209.28 g/mol, XLogP of 2.17, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(heptan-3-ylamino)propan-1-ol is sourced from PubChem (CID 104860428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).