3-(3-fluoropropylamino)-2-methylpropan-1-ol

C7H16FNO — CID 81107074

IUPAC3-(3-fluoropropylamino)-2-methylpropan-1-ol
SMILESCC(CO)CNCCCF
InChIInChI=1S/C7H16FNO/c1-7(6-10)5-9-4-2-3-8/h7,9-10H,2-6H2,1H3
InChIKeyUKOJELADZNPYDT-UHFFFAOYSA-N
MW149.21 g/mol
LogP0.56
Rot. Bonds6

About 3-(3-fluoropropylamino)-2-methylpropan-1-ol

3-(3-fluoropropylamino)-2-methylpropan-1-ol (PubChem CID 81107074) has the molecular formula C7H16FNO and a molecular weight of 149.21 g/mol. Its IUPAC name is 3-(3-fluoropropylamino)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(3-fluoropropylamino)-2-methylpropan-1-ol
PubChem CID81107074
Molecular FormulaC7H16FNO
Molecular Weight149.21 g/mol
Exact Mass149.12
IUPAC Name3-(3-fluoropropylamino)-2-methylpropan-1-ol
SMILESCC(CO)CNCCCF
InChIInChI=1S/C7H16FNO/c1-7(6-10)5-9-4-2-3-8/h7,9-10H,2-6H2,1H3
InChIKeyUKOJELADZNPYDT-UHFFFAOYSA-N
XLogP0.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 50.56
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

3-(Ethylamino)propanol
CID 10176104
1-Propanol, 3-(propylamino)-
CID 186621
3-((2,2,2-Trifluoroethyl)amino)propan-1-ol
CID 43393584
3-[(2,2-Dimethylpropyl)amino]propan-1-ol
CID 50986357
(2R)-2-methyl-3-(methylamino)propan-1-ol
CID 58246775
3-(Butylamino)propan-1-ol
CID 5261226
(2S)-2-methyl-3-(methylamino)propan-1-ol
CID 55288272
2-Fluoro-3-(methylamino)propan-1-ol
CID 55299470
4-(2-Fluoroethylamino)butan-2-ol
CID 80697261
2-[(2-Fluoro-2-methylpropyl)amino]ethanol
CID 84648253
1-(Fluoromethylamino)-2-methylpropan-1-ol
CID 87879147
(2R)-2-fluoro-3-(methylamino)propan-1-ol
CID 89697654

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropylamino)-2-methylpropan-1-ol?
The IUPAC name of 3-(3-fluoropropylamino)-2-methylpropan-1-ol (CID 81107074) is 3-(3-fluoropropylamino)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(3-fluoropropylamino)-2-methylpropan-1-ol?
The canonical SMILES for 3-(3-fluoropropylamino)-2-methylpropan-1-ol is CC(CO)CNCCCF.
What is the InChIKey of 3-(3-fluoropropylamino)-2-methylpropan-1-ol?
The InChIKey is UKOJELADZNPYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNO/c1-7(6-10)5-9-4-2-3-8/h7,9-10H,2-6H2,1H3.
What are the key properties of 3-(3-fluoropropylamino)-2-methylpropan-1-ol?
3-(3-fluoropropylamino)-2-methylpropan-1-ol has a molecular weight of 149.21 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropylamino)-2-methylpropan-1-ol is sourced from PubChem (CID 81107074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).