4-(3-fluoropropylamino)butan-1-ol

C7H16FNO — CID 106841602

IUPAC4-(3-fluoropropylamino)butan-1-ol
SMILESOCCCCNCCCF
InChIInChI=1S/C7H16FNO/c8-4-3-6-9-5-1-2-7-10/h9-10H,1-7H2
InChIKeyLJNVHPZFXMRHTP-UHFFFAOYSA-N
MW149.21 g/mol
LogP0.71
Rot. Bonds7

About 4-(3-fluoropropylamino)butan-1-ol

4-(3-fluoropropylamino)butan-1-ol (PubChem CID 106841602) has the molecular formula C7H16FNO and a molecular weight of 149.21 g/mol. Its IUPAC name is 4-(3-fluoropropylamino)butan-1-ol.

Molecular Properties

Compound Name4-(3-fluoropropylamino)butan-1-ol
PubChem CID106841602
Molecular FormulaC7H16FNO
Molecular Weight149.21 g/mol
Exact Mass149.12
IUPAC Name4-(3-fluoropropylamino)butan-1-ol
SMILESOCCCCNCCCF
InChIInChI=1S/C7H16FNO/c8-4-3-6-9-5-1-2-7-10/h9-10H,1-7H2
InChIKeyLJNVHPZFXMRHTP-UHFFFAOYSA-N
XLogP0.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.21
LogP ≤ 50.71
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

1-Butanol, 4-(butylamino)-
CID 20669
4-(Isopropylamino)butanol
CID 12950986
4-(Methylamino)butan-1-ol
CID 9833937
4-Ethylamino-1-butanol
CID 546882
4-(4-Hydroxybutylamino)butan-1-ol
CID 157518
4-(3-Hydroxypropylamino)butan-1-ol
CID 187009
4-(3,3,3-Trifluoropropylamino)butan-1-ol
CID 63226132
4-Fluoropyrrolidin-2-ol
CID 89311737
2,2-Difluoro-4-(methylamino)butan-1-ol
CID 134297411
3,3-Difluoro-4-(methylamino)butan-1-ol
CID 134297415
4-(Ethylamino)butan-1-ol;1,1,1-trifluoroethane
CID 143016474
2,2-Difluoro-4-(propylamino)butan-1-ol
CID 154296862

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoropropylamino)butan-1-ol?
The IUPAC name of 4-(3-fluoropropylamino)butan-1-ol (CID 106841602) is 4-(3-fluoropropylamino)butan-1-ol.
What is the SMILES notation for 4-(3-fluoropropylamino)butan-1-ol?
The canonical SMILES for 4-(3-fluoropropylamino)butan-1-ol is OCCCCNCCCF.
What is the InChIKey of 4-(3-fluoropropylamino)butan-1-ol?
The InChIKey is LJNVHPZFXMRHTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16FNO/c8-4-3-6-9-5-1-2-7-10/h9-10H,1-7H2.
What are the key properties of 4-(3-fluoropropylamino)butan-1-ol?
4-(3-fluoropropylamino)butan-1-ol has a molecular weight of 149.21 g/mol, XLogP of 0.71, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoropropylamino)butan-1-ol is sourced from PubChem (CID 106841602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).