3-(3-fluoropropylamino)-2,3-dimethylbutan-2-ol

C9H20FNO — CID 103993408

IUPAC3-(3-fluoropropylamino)-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)NCCCF
InChIInChI=1S/C9H20FNO/c1-8(2,9(3,4)12)11-7-5-6-10/h11-12H,5-7H2,1-4H3
InChIKeyKZNOFPFAOQSSNY-UHFFFAOYSA-N
MW177.26 g/mol
LogP1.49
Rot. Bonds5

About 3-(3-fluoropropylamino)-2,3-dimethylbutan-2-ol

3-(3-fluoropropylamino)-2,3-dimethylbutan-2-ol (PubChem CID 103993408) has the molecular formula C9H20FNO and a molecular weight of 177.26 g/mol. Its IUPAC name is 3-(3-fluoropropylamino)-2,3-dimethylbutan-2-ol.

Molecular Properties

Compound Name3-(3-fluoropropylamino)-2,3-dimethylbutan-2-ol
PubChem CID103993408
Molecular FormulaC9H20FNO
Molecular Weight177.26 g/mol
Exact Mass177.15
IUPAC Name3-(3-fluoropropylamino)-2,3-dimethylbutan-2-ol
SMILESCC(C)(O)C(C)(C)NCCCF
InChIInChI=1S/C9H20FNO/c1-8(2,9(3,4)12)11-7-5-6-10/h11-12H,5-7H2,1-4H3
InChIKeyKZNOFPFAOQSSNY-UHFFFAOYSA-N
XLogP1.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.26
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,3-Dimethyl-3-(methylamino)-2-butanol
CID 14042308
1-[(1,1-Dimethylethyl)amino]-2-methyl-2-propanol
CID 10909698
(3R)-4-(tert-butylamino)-3-fluoro-2-methylbutan-2-ol
CID 117797864
2-Methyl-1-(3,3,3-trifluoropropylamino)butan-2-ol
CID 65111139
2-Methyl-3-(3,3,3-trifluoropropylamino)butan-2-ol
CID 65337529
3-(Tert-butylamino)-1,1,1-trifluoro-2-methylpropan-2-ol
CID 80559064
3-(Tert-butylamino)-1,1-difluoro-2-methylpropan-2-ol
CID 80605073
1-(2-Fluoroethylamino)-2-methylbutan-2-ol
CID 80694203
3-[(2-Fluoroethylamino)methyl]pentan-3-ol
CID 80694204
1-(3-Fluoropropylamino)-2-methylpropan-2-ol
CID 81107198
1-(3-Fluoropropylamino)-2-methylbutan-2-ol
CID 81107199
3-[(3-Fluoropropylamino)methyl]pentan-3-ol
CID 81107321

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropylamino)-2,3-dimethylbutan-2-ol?
The IUPAC name of 3-(3-fluoropropylamino)-2,3-dimethylbutan-2-ol (CID 103993408) is 3-(3-fluoropropylamino)-2,3-dimethylbutan-2-ol.
What is the SMILES notation for 3-(3-fluoropropylamino)-2,3-dimethylbutan-2-ol?
The canonical SMILES for 3-(3-fluoropropylamino)-2,3-dimethylbutan-2-ol is CC(C)(O)C(C)(C)NCCCF.
What is the InChIKey of 3-(3-fluoropropylamino)-2,3-dimethylbutan-2-ol?
The InChIKey is KZNOFPFAOQSSNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FNO/c1-8(2,9(3,4)12)11-7-5-6-10/h11-12H,5-7H2,1-4H3.
What are the key properties of 3-(3-fluoropropylamino)-2,3-dimethylbutan-2-ol?
3-(3-fluoropropylamino)-2,3-dimethylbutan-2-ol has a molecular weight of 177.26 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropylamino)-2,3-dimethylbutan-2-ol is sourced from PubChem (CID 103993408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).