1-(3-fluoropropylamino)-2,4-dimethylpentan-2-ol

C10H22FNO — CID 81105415

IUPAC1-(3-fluoropropylamino)-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNCCCF
InChIInChI=1S/C10H22FNO/c1-9(2)7-10(3,13)8-12-6-4-5-11/h9,12-13H,4-8H2,1-3H3
InChIKeyISOGGGJBFRIXGE-UHFFFAOYSA-N
MW191.29 g/mol
LogP1.73
Rot. Bonds7

About 1-(3-fluoropropylamino)-2,4-dimethylpentan-2-ol

1-(3-fluoropropylamino)-2,4-dimethylpentan-2-ol (PubChem CID 81105415) has the molecular formula C10H22FNO and a molecular weight of 191.29 g/mol. Its IUPAC name is 1-(3-fluoropropylamino)-2,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(3-fluoropropylamino)-2,4-dimethylpentan-2-ol
PubChem CID81105415
Molecular FormulaC10H22FNO
Molecular Weight191.29 g/mol
Exact Mass191.17
IUPAC Name1-(3-fluoropropylamino)-2,4-dimethylpentan-2-ol
SMILESCC(C)CC(C)(O)CNCCCF
InChIInChI=1S/C10H22FNO/c1-9(2)7-10(3,13)8-12-6-4-5-11/h9,12-13H,4-8H2,1-3H3
InChIKeyISOGGGJBFRIXGE-UHFFFAOYSA-N
XLogP1.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.29
LogP ≤ 51.73
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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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropylamino)-2,4-dimethylpentan-2-ol?
The IUPAC name of 1-(3-fluoropropylamino)-2,4-dimethylpentan-2-ol (CID 81105415) is 1-(3-fluoropropylamino)-2,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(3-fluoropropylamino)-2,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(3-fluoropropylamino)-2,4-dimethylpentan-2-ol is CC(C)CC(C)(O)CNCCCF.
What is the InChIKey of 1-(3-fluoropropylamino)-2,4-dimethylpentan-2-ol?
The InChIKey is ISOGGGJBFRIXGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FNO/c1-9(2)7-10(3,13)8-12-6-4-5-11/h9,12-13H,4-8H2,1-3H3.
What are the key properties of 1-(3-fluoropropylamino)-2,4-dimethylpentan-2-ol?
1-(3-fluoropropylamino)-2,4-dimethylpentan-2-ol has a molecular weight of 191.29 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropylamino)-2,4-dimethylpentan-2-ol is sourced from PubChem (CID 81105415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).