4,4-difluoro-1-(propan-2-ylamino)pentane-1,5-diol

C8H17F2NO2 — CID 157032398

IUPAC4,4-difluoro-1-(propan-2-ylamino)pentane-1,5-diol
SMILESCC(C)NC(O)CCC(F)(F)CO
InChIInChI=1S/C8H17F2NO2/c1-6(2)11-7(13)3-4-8(9,10)5-12/h6-7,11-13H,3-5H2,1-2H3
InChIKeyMIIMQSMIEFNMFH-UHFFFAOYSA-N
MW197.22 g/mol
LogP0.71
Rot. Bonds6

About 4,4-difluoro-1-(propan-2-ylamino)pentane-1,5-diol

4,4-difluoro-1-(propan-2-ylamino)pentane-1,5-diol (PubChem CID 157032398) has the molecular formula C8H17F2NO2 and a molecular weight of 197.22 g/mol. Its IUPAC name is 4,4-difluoro-1-(propan-2-ylamino)pentane-1,5-diol.

Molecular Properties

Compound Name4,4-difluoro-1-(propan-2-ylamino)pentane-1,5-diol
PubChem CID157032398
Molecular FormulaC8H17F2NO2
Molecular Weight197.22 g/mol
Exact Mass197.12
IUPAC Name4,4-difluoro-1-(propan-2-ylamino)pentane-1,5-diol
SMILESCC(C)NC(O)CCC(F)(F)CO
InChIInChI=1S/C8H17F2NO2/c1-6(2)11-7(13)3-4-8(9,10)5-12/h6-7,11-13H,3-5H2,1-2H3
InChIKeyMIIMQSMIEFNMFH-UHFFFAOYSA-N
XLogP0.71
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 50.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 4,4-difluoro-1-(propan-2-ylamino)pentane-1,5-diol with MolForge

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

Launch Full Analysis

Related Compounds

5-(Isopropylamino)pentanol
CID 414092
3,3-Difluoro-5-(methylamino)pentan-1-ol;ethane
CID 142295329
3,3-Difluoro-5-(methylamino)pentan-1-ol;ethane;molecular hydrogen
CID 142390458
3,3-Difluoro-5-(propan-2-ylamino)pentan-1-ol
CID 147787502
5-(Tert-butylamino)-3,3-difluoropentan-1-ol
CID 153299938
3,3-Difluoro-5-(propan-2-ylamino)pentan-1-ol;ethane;molecular hydrogen
CID 153623241
5-(Ethylamino)-3,3-difluoropentan-1-ol
CID 162607397
3,3-Difluoro-5-(2-sulfanylpropan-2-ylamino)pentan-1-ol
CID 164068844
5-(3,3,3-Trifluoropropylamino)pentan-1-ol
CID 63226285
4-(3,3,3-Trifluoropropylamino)pentan-1-ol
CID 80295115
4-(1,1-Difluoropropan-2-ylamino)pentan-1-ol
CID 102869775
6-(6,6,6-Trifluorohexan-2-ylamino)hexan-1-ol
CID 104925287

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-(propan-2-ylamino)pentane-1,5-diol?
The IUPAC name of 4,4-difluoro-1-(propan-2-ylamino)pentane-1,5-diol (CID 157032398) is 4,4-difluoro-1-(propan-2-ylamino)pentane-1,5-diol.
What is the SMILES notation for 4,4-difluoro-1-(propan-2-ylamino)pentane-1,5-diol?
The canonical SMILES for 4,4-difluoro-1-(propan-2-ylamino)pentane-1,5-diol is CC(C)NC(O)CCC(F)(F)CO.
What is the InChIKey of 4,4-difluoro-1-(propan-2-ylamino)pentane-1,5-diol?
The InChIKey is MIIMQSMIEFNMFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO2/c1-6(2)11-7(13)3-4-8(9,10)5-12/h6-7,11-13H,3-5H2,1-2H3.
What are the key properties of 4,4-difluoro-1-(propan-2-ylamino)pentane-1,5-diol?
4,4-difluoro-1-(propan-2-ylamino)pentane-1,5-diol has a molecular weight of 197.22 g/mol, XLogP of 0.71, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-(propan-2-ylamino)pentane-1,5-diol is sourced from PubChem (CID 157032398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).