3-fluoro-4-(2-hydroxypropan-2-ylamino)-2-methylbutan-2-ol

C8H18FNO2 — CID 135162575

IUPAC3-fluoro-4-(2-hydroxypropan-2-ylamino)-2-methylbutan-2-ol
SMILESCC(C)(O)NCC(F)C(C)(C)O
InChIInChI=1S/C8H18FNO2/c1-7(2,11)6(9)5-10-8(3,4)12/h6,10-12H,5H2,1-4H3
InChIKeyDYVXCDBANHXFTE-UHFFFAOYSA-N
MW179.23 g/mol
LogP0.41
Rot. Bonds4

About 3-fluoro-4-(2-hydroxypropan-2-ylamino)-2-methylbutan-2-ol

3-fluoro-4-(2-hydroxypropan-2-ylamino)-2-methylbutan-2-ol (PubChem CID 135162575) has the molecular formula C8H18FNO2 and a molecular weight of 179.23 g/mol. Its IUPAC name is 3-fluoro-4-(2-hydroxypropan-2-ylamino)-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-fluoro-4-(2-hydroxypropan-2-ylamino)-2-methylbutan-2-ol
PubChem CID135162575
Molecular FormulaC8H18FNO2
Molecular Weight179.23 g/mol
Exact Mass179.13
IUPAC Name3-fluoro-4-(2-hydroxypropan-2-ylamino)-2-methylbutan-2-ol
SMILESCC(C)(O)NCC(F)C(C)(C)O
InChIInChI=1S/C8H18FNO2/c1-7(2,11)6(9)5-10-8(3,4)12/h6,10-12H,5H2,1-4H3
InChIKeyDYVXCDBANHXFTE-UHFFFAOYSA-N
XLogP0.41
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.23
LogP ≤ 50.41
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 3-fluoro-4-(2-hydroxypropan-2-ylamino)-2-methylbutan-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

Related Compounds

(3R)-4-(tert-butylamino)-3-fluoro-2-methylbutan-2-ol
CID 117797864
(3R)-3-fluoro-2-methyl-4-(methylamino)butan-2-ol
CID 117804812
(3R)-3-fluoro-2-methyl-4-(propan-2-ylamino)butan-2-ol
CID 157783214
(3S)-3-fluoro-4-(1-hydroxyethylamino)-2-methylbutan-2-ol
CID 176960876
4-(tert-Butylamino)-2-methylbutan-2-ol
CID 13948152
2-Methyl-4-[(1-methylethyl)amino]-2-butanol
CID 15889474
2-Methyl-4-(3,3,3-trifluoropropylamino)butan-2-ol
CID 79356291
1,1,1-Trifluoro-2-methyl-4-(propan-2-ylamino)butan-2-ol
CID 80558961
4-(Tert-butylamino)-1,1,1-trifluoro-2-methylbutan-2-ol
CID 80558962
1,1,1-Trifluoro-2-methyl-4-(2-methylpropylamino)butan-2-ol
CID 80558994
1,1,1-Trifluoro-2-methyl-4-(propylamino)butan-2-ol
CID 80559494
1,1-Difluoro-2-methyl-4-(propylamino)butan-2-ol
CID 80604716

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(2-hydroxypropan-2-ylamino)-2-methylbutan-2-ol?
The IUPAC name of 3-fluoro-4-(2-hydroxypropan-2-ylamino)-2-methylbutan-2-ol (CID 135162575) is 3-fluoro-4-(2-hydroxypropan-2-ylamino)-2-methylbutan-2-ol.
What is the SMILES notation for 3-fluoro-4-(2-hydroxypropan-2-ylamino)-2-methylbutan-2-ol?
The canonical SMILES for 3-fluoro-4-(2-hydroxypropan-2-ylamino)-2-methylbutan-2-ol is CC(C)(O)NCC(F)C(C)(C)O.
What is the InChIKey of 3-fluoro-4-(2-hydroxypropan-2-ylamino)-2-methylbutan-2-ol?
The InChIKey is DYVXCDBANHXFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18FNO2/c1-7(2,11)6(9)5-10-8(3,4)12/h6,10-12H,5H2,1-4H3.
What are the key properties of 3-fluoro-4-(2-hydroxypropan-2-ylamino)-2-methylbutan-2-ol?
3-fluoro-4-(2-hydroxypropan-2-ylamino)-2-methylbutan-2-ol has a molecular weight of 179.23 g/mol, XLogP of 0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(2-hydroxypropan-2-ylamino)-2-methylbutan-2-ol is sourced from PubChem (CID 135162575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).