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

C10H22FNO — CID 107151915

IUPAC1-(3-fluoropropylamino)-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNCCCF
InChIInChI=1S/C10H22FNO/c1-10(2,3)7-9(13)8-12-6-4-5-11/h9,12-13H,4-8H2,1-3H3
InChIKeyNKAHFLYAMIEITQ-UHFFFAOYSA-N
MW191.29 g/mol
LogP1.73
Rot. Bonds6

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

1-(3-fluoropropylamino)-4,4-dimethylpentan-2-ol (PubChem CID 107151915) has the molecular formula C10H22FNO and a molecular weight of 191.29 g/mol. Its IUPAC name is 1-(3-fluoropropylamino)-4,4-dimethylpentan-2-ol.

Molecular Properties

Compound Name1-(3-fluoropropylamino)-4,4-dimethylpentan-2-ol
PubChem CID107151915
Molecular FormulaC10H22FNO
Molecular Weight191.29 g/mol
Exact Mass191.17
IUPAC Name1-(3-fluoropropylamino)-4,4-dimethylpentan-2-ol
SMILESCC(C)(C)CC(O)CNCCCF
InChIInChI=1S/C10H22FNO/c1-10(2,3)7-9(13)8-12-6-4-5-11/h9,12-13H,4-8H2,1-3H3
InChIKeyNKAHFLYAMIEITQ-UHFFFAOYSA-N
XLogP1.73
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
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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Related Compounds

5,5-Dimethylpiperidin-3-ol hydrochloride
CID 115013109
1-(Tert-butylamino)-4-methylpentan-2-ol
CID 534387
4,4-Dimethyl-1-(methylamino)pentan-3-ol
CID 83635351
5-Fluoro-4-fluoromethyl-1-methylamino-pentan-2-ol
CID 57512914
1-Fluoro-2,2-bis(fluoromethyl)-5-(methylamino)hexan-3-ol
CID 117736477
5,5-Bis(fluoromethyl)piperidin-3-ol
CID 166681591
4,4-Difluoro-2-(2-hydroxypentylamino)-2-methylpentan-1-ol
CID 167099786
4-Methyl-1-(methylamino)pentan-2-ol
CID 15892886
1-(2-Hydroxyethylamino)-3,3-dimethylbutan-2-ol
CID 54004029
4,4-Dimethyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 62950063
1,1,1-Trifluoro-3-[(1-methylcyclopentyl)methylamino]propan-2-ol
CID 63900050
1,1,1-Trifluoro-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 63900457

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropylamino)-4,4-dimethylpentan-2-ol?
The IUPAC name of 1-(3-fluoropropylamino)-4,4-dimethylpentan-2-ol (CID 107151915) is 1-(3-fluoropropylamino)-4,4-dimethylpentan-2-ol.
What is the SMILES notation for 1-(3-fluoropropylamino)-4,4-dimethylpentan-2-ol?
The canonical SMILES for 1-(3-fluoropropylamino)-4,4-dimethylpentan-2-ol is CC(C)(C)CC(O)CNCCCF.
What is the InChIKey of 1-(3-fluoropropylamino)-4,4-dimethylpentan-2-ol?
The InChIKey is NKAHFLYAMIEITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22FNO/c1-10(2,3)7-9(13)8-12-6-4-5-11/h9,12-13H,4-8H2,1-3H3.
What are the key properties of 1-(3-fluoropropylamino)-4,4-dimethylpentan-2-ol?
1-(3-fluoropropylamino)-4,4-dimethylpentan-2-ol has a molecular weight of 191.29 g/mol, XLogP of 1.73, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropylamino)-4,4-dimethylpentan-2-ol is sourced from PubChem (CID 107151915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).