4,4-difluoro-5-(methylamino)-2-propan-2-ylpentan-1-ol

C9H19F2NO — CID 139357796

IUPAC4,4-difluoro-5-(methylamino)-2-propan-2-ylpentan-1-ol
SMILESCNCC(F)(F)CC(CO)C(C)C
InChIInChI=1S/C9H19F2NO/c1-7(2)8(5-13)4-9(10,11)6-12-3/h7-8,12-13H,4-6H2,1-3H3
InChIKeyMEXBXHWZCSBYEI-UHFFFAOYSA-N
MW195.25 g/mol
LogP1.50
Rot. Bonds6

About 4,4-difluoro-5-(methylamino)-2-propan-2-ylpentan-1-ol

4,4-difluoro-5-(methylamino)-2-propan-2-ylpentan-1-ol (PubChem CID 139357796) has the molecular formula C9H19F2NO and a molecular weight of 195.25 g/mol. Its IUPAC name is 4,4-difluoro-5-(methylamino)-2-propan-2-ylpentan-1-ol.

Molecular Properties

Compound Name4,4-difluoro-5-(methylamino)-2-propan-2-ylpentan-1-ol
PubChem CID139357796
Molecular FormulaC9H19F2NO
Molecular Weight195.25 g/mol
Exact Mass195.14
IUPAC Name4,4-difluoro-5-(methylamino)-2-propan-2-ylpentan-1-ol
SMILESCNCC(F)(F)CC(CO)C(C)C
InChIInChI=1S/C9H19F2NO/c1-7(2)8(5-13)4-9(10,11)6-12-3/h7-8,12-13H,4-6H2,1-3H3
InChIKeyMEXBXHWZCSBYEI-UHFFFAOYSA-N
XLogP1.50
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.25
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4,4-difluoro-5-(methylamino)-2-propan-2-ylpentan-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 4,4-difluoro-5-(methylamino)-2-propan-2-ylpentan-1-ol?
The IUPAC name of 4,4-difluoro-5-(methylamino)-2-propan-2-ylpentan-1-ol (CID 139357796) is 4,4-difluoro-5-(methylamino)-2-propan-2-ylpentan-1-ol.
What is the SMILES notation for 4,4-difluoro-5-(methylamino)-2-propan-2-ylpentan-1-ol?
The canonical SMILES for 4,4-difluoro-5-(methylamino)-2-propan-2-ylpentan-1-ol is CNCC(F)(F)CC(CO)C(C)C.
What is the InChIKey of 4,4-difluoro-5-(methylamino)-2-propan-2-ylpentan-1-ol?
The InChIKey is MEXBXHWZCSBYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19F2NO/c1-7(2)8(5-13)4-9(10,11)6-12-3/h7-8,12-13H,4-6H2,1-3H3.
What are the key properties of 4,4-difluoro-5-(methylamino)-2-propan-2-ylpentan-1-ol?
4,4-difluoro-5-(methylamino)-2-propan-2-ylpentan-1-ol has a molecular weight of 195.25 g/mol, XLogP of 1.50, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-5-(methylamino)-2-propan-2-ylpentan-1-ol is sourced from PubChem (CID 139357796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).