3-[(5,5,5-trifluoropentylamino)methyl]pentan-3-ol

C11H22F3NO — CID 114493463

IUPAC3-[(5,5,5-trifluoropentylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCCCCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-3-10(16,4-2)9-15-8-6-5-7-11(12,13)14/h15-16H,3-9H2,1-2H3
InChIKeyWAHXAYJGRRKTJE-UHFFFAOYSA-N
MW241.30 g/mol
LogP2.86
Rot. Bonds8

About 3-[(5,5,5-trifluoropentylamino)methyl]pentan-3-ol

3-[(5,5,5-trifluoropentylamino)methyl]pentan-3-ol (PubChem CID 114493463) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 3-[(5,5,5-trifluoropentylamino)methyl]pentan-3-ol.

Molecular Properties

Compound Name3-[(5,5,5-trifluoropentylamino)methyl]pentan-3-ol
PubChem CID114493463
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name3-[(5,5,5-trifluoropentylamino)methyl]pentan-3-ol
SMILESCCC(O)(CC)CNCCCCC(F)(F)F
InChIInChI=1S/C11H22F3NO/c1-3-10(16,4-2)9-15-8-6-5-7-11(12,13)14/h15-16H,3-9H2,1-2H3
InChIKeyWAHXAYJGRRKTJE-UHFFFAOYSA-N
XLogP2.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 52.86
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

3-[(3,3,3-trifluoropropylamino)methyl]pentan-3-ol
CID 65111054
2-ethyl-2-[(5,5,5-trifluoropentylamino)methyl]butan-1-ol
CID 115517280
3-[(decylamino)methyl]pentan-3-ol
CID 65111652
2-hydroxy-2-methyl-3-(5,5,5-trifluoropentylamino)propanoic acid
CID 104644905
3-ethyl-7,7,7-trifluoroheptan-3-ol
CID 86640092
3-[(7-methyloctylamino)methyl]pentan-3-ol
CID 107814894
3-[(hex-5-ynylamino)methyl]pentan-3-ol
CID 106211950
2-N-ethyl-2-methyl-1-N-(5,5,5-trifluoropentyl)propane-1,2-diamine
CID 115520295
4-[(2-ethyl-2-hydroxybutyl)amino]butanoic acid
CID 65111208
N-(2-ethyl-2-hydroxybutyl)-4,4,4-trifluorobutane-1-sulfonamide
CID 83059714
3-[(3-methylsulfonylpropylamino)methyl]pentan-3-ol
CID 65111392
3,3-dimethyl-N-(5,5,5-trifluoropentyl)butan-1-amine
CID 115517334

Frequently Asked Questions

What is the IUPAC name of 3-[(5,5,5-trifluoropentylamino)methyl]pentan-3-ol?
The IUPAC name of 3-[(5,5,5-trifluoropentylamino)methyl]pentan-3-ol (CID 114493463) is 3-[(5,5,5-trifluoropentylamino)methyl]pentan-3-ol.
What is the SMILES notation for 3-[(5,5,5-trifluoropentylamino)methyl]pentan-3-ol?
The canonical SMILES for 3-[(5,5,5-trifluoropentylamino)methyl]pentan-3-ol is CCC(O)(CC)CNCCCCC(F)(F)F.
What is the InChIKey of 3-[(5,5,5-trifluoropentylamino)methyl]pentan-3-ol?
The InChIKey is WAHXAYJGRRKTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-3-10(16,4-2)9-15-8-6-5-7-11(12,13)14/h15-16H,3-9H2,1-2H3.
What are the key properties of 3-[(5,5,5-trifluoropentylamino)methyl]pentan-3-ol?
3-[(5,5,5-trifluoropentylamino)methyl]pentan-3-ol has a molecular weight of 241.30 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,5,5-trifluoropentylamino)methyl]pentan-3-ol is sourced from PubChem (CID 114493463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).