3-[(3-fluoropropylamino)methyl]pentan-3-ol

C9H20FNO — CID 81107321

IUPAC3-[(3-fluoropropylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCCCF
InChIInChI=1S/C9H20FNO/c1-3-9(12,4-2)8-11-7-5-6-10/h11-12H,3-8H2,1-2H3
InChIKeyDLSKLSHQFQQSFP-UHFFFAOYSA-N
MW177.26 g/mol
LogP1.49
Rot. Bonds7

About 3-[(3-fluoropropylamino)methyl]pentan-3-ol

3-[(3-fluoropropylamino)methyl]pentan-3-ol (PubChem CID 81107321) has the molecular formula C9H20FNO and a molecular weight of 177.26 g/mol. Its IUPAC name is 3-[(3-fluoropropylamino)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(3-fluoropropylamino)methyl]pentan-3-ol
PubChem CID81107321
Molecular FormulaC9H20FNO
Molecular Weight177.26 g/mol
Exact Mass177.15
IUPAC Name3-[(3-fluoropropylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCCCF
InChIInChI=1S/C9H20FNO/c1-3-9(12,4-2)8-11-7-5-6-10/h11-12H,3-8H2,1-2H3
InChIKeyDLSKLSHQFQQSFP-UHFFFAOYSA-N
XLogP1.49
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoropropylamino)methyl]pentan-3-ol?
The IUPAC name of 3-[(3-fluoropropylamino)methyl]pentan-3-ol (CID 81107321) is 3-[(3-fluoropropylamino)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(3-fluoropropylamino)methyl]pentan-3-ol?
The canonical SMILES for 3-[(3-fluoropropylamino)methyl]pentan-3-ol is CCC(O)(CC)CNCCCF.
What is the InChIKey of 3-[(3-fluoropropylamino)methyl]pentan-3-ol?
The InChIKey is DLSKLSHQFQQSFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FNO/c1-3-9(12,4-2)8-11-7-5-6-10/h11-12H,3-8H2,1-2H3.
What are the key properties of 3-[(3-fluoropropylamino)methyl]pentan-3-ol?
3-[(3-fluoropropylamino)methyl]pentan-3-ol has a molecular weight of 177.26 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoropropylamino)methyl]pentan-3-ol is sourced from PubChem (CID 81107321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).