3-[(3-fluoropropylamino)methyl]pentan-1-ol

C9H20FNO — CID 81105917

IUPAC3-[(3-fluoropropylamino)methyl]pentan-1-ol
SMILESCCC(CCO)CNCCCF
InChIInChI=1S/C9H20FNO/c1-2-9(4-7-12)8-11-6-3-5-10/h9,11-12H,2-8H2,1H3
InChIKeyMFXHKLBEZAZVGG-UHFFFAOYSA-N
MW177.26 g/mol
LogP1.34
Rot. Bonds8

About 3-[(3-fluoropropylamino)methyl]pentan-1-ol

3-[(3-fluoropropylamino)methyl]pentan-1-ol (PubChem CID 81105917) has the molecular formula C9H20FNO and a molecular weight of 177.26 g/mol. Its IUPAC name is 3-[(3-fluoropropylamino)methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[(3-fluoropropylamino)methyl]pentan-1-ol
PubChem CID81105917
Molecular FormulaC9H20FNO
Molecular Weight177.26 g/mol
Exact Mass177.15
IUPAC Name3-[(3-fluoropropylamino)methyl]pentan-1-ol
SMILESCCC(CCO)CNCCCF
InChIInChI=1S/C9H20FNO/c1-2-9(4-7-12)8-11-6-3-5-10/h9,11-12H,2-8H2,1H3
InChIKeyMFXHKLBEZAZVGG-UHFFFAOYSA-N
XLogP1.34
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.26
LogP ≤ 51.34
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

4-(Propan-2-ylamino)-2-(trifluoromethyl)butan-1-ol
CID 155618379
4-(Tert-butylamino)-2-fluorobutan-1-ol
CID 166969767
2-Ethyl-1-(2,2,2-trifluoroethylamino)butan-1-ol
CID 167309514
3-Ethyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 61317520
3-Methyl-2-(2,2,2-trifluoroethylamino)pentan-1-ol
CID 61319551
4-(2,2-Difluoroethylamino)-3-methylbutan-1-ol
CID 66091631
3-Methyl-4-(2,2,2-trifluoroethylamino)butan-1-ol
CID 66092330
3-Methyl-4-(3,3,3-trifluoropropylamino)butan-1-ol
CID 66107697
3-[[3-(2,2,2-Trifluoroethoxy)propylamino]methyl]pentan-1-ol
CID 80289145
3-[(2,2,2-Trifluoroethylamino)methyl]pentan-1-ol
CID 80289688
3-[[(3,3,3-Trifluoro-2-hydroxypropyl)amino]methyl]pentan-1-ol
CID 80289801
3-[(3,3,3-Trifluoropropylamino)methyl]pentan-1-ol
CID 80290132

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoropropylamino)methyl]pentan-1-ol?
The IUPAC name of 3-[(3-fluoropropylamino)methyl]pentan-1-ol (CID 81105917) is 3-[(3-fluoropropylamino)methyl]pentan-1-ol.
What is the SMILES notation for 3-[(3-fluoropropylamino)methyl]pentan-1-ol?
The canonical SMILES for 3-[(3-fluoropropylamino)methyl]pentan-1-ol is CCC(CCO)CNCCCF.
What is the InChIKey of 3-[(3-fluoropropylamino)methyl]pentan-1-ol?
The InChIKey is MFXHKLBEZAZVGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20FNO/c1-2-9(4-7-12)8-11-6-3-5-10/h9,11-12H,2-8H2,1H3.
What are the key properties of 3-[(3-fluoropropylamino)methyl]pentan-1-ol?
3-[(3-fluoropropylamino)methyl]pentan-1-ol has a molecular weight of 177.26 g/mol, XLogP of 1.34, 8 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-1-ol is sourced from PubChem (CID 81105917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).