5-(3,3,3-trifluoropropylamino)pentan-2-ol

C8H16F3NO — CID 106130922

IUPAC5-(3,3,3-trifluoropropylamino)pentan-2-ol
SMILESCC(O)CCCNCCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(13)3-2-5-12-6-4-8(9,10)11/h7,12-13H,2-6H2,1H3
InChIKeyNCBWFDRLBCHQGN-UHFFFAOYSA-N
MW199.22 g/mol
LogP1.69
Rot. Bonds6

About 5-(3,3,3-trifluoropropylamino)pentan-2-ol

5-(3,3,3-trifluoropropylamino)pentan-2-ol (PubChem CID 106130922) has the molecular formula C8H16F3NO and a molecular weight of 199.22 g/mol. Its IUPAC name is 5-(3,3,3-trifluoropropylamino)pentan-2-ol.

Molecular Properties

Compound Name5-(3,3,3-trifluoropropylamino)pentan-2-ol
PubChem CID106130922
Molecular FormulaC8H16F3NO
Molecular Weight199.22 g/mol
Exact Mass199.12
IUPAC Name5-(3,3,3-trifluoropropylamino)pentan-2-ol
SMILESCC(O)CCCNCCC(F)(F)F
InChIInChI=1S/C8H16F3NO/c1-7(13)3-2-5-12-6-4-8(9,10)11/h7,12-13H,2-6H2,1H3
InChIKeyNCBWFDRLBCHQGN-UHFFFAOYSA-N
XLogP1.69
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 51.69
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-(4-hydroxypentylamino)pentan-2-ol
CID 141381726
5-[(3-methoxy-3-methylbutyl)amino]pentan-2-ol
CID 106122501
4-methyl-N-(4,4,4-trifluorobutyl)pentan-1-amine
CID 115513588
1-N-(3,3,3-trifluoropropyl)hexane-1,5-diamine
CID 82853346
5-[[(2R)-2-hydroxypropyl]amino]pentan-2-ol
CID 106131822
5-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106130368
N'-methyl-N'-propan-2-yl-N-(3,3,3-trifluoropropyl)propane-1,3-diamine
CID 106045562
3,3,3-trifluoro-N-[3-(2-methylpropoxy)propyl]propan-1-amine
CID 103605804
5-(4-methoxybutylamino)pentan-2-ol
CID 106131000
1-N-(4,4,4-trifluorobutyl)butane-1,3-diamine
CID 115520181
5-(3,3,3-trifluoropropoxy)pentan-2-ol
CID 82958309
3-methyl-N'-(5,5,5-trifluoropentyl)hexane-1,6-diamine
CID 115520404

Frequently Asked Questions

What is the IUPAC name of 5-(3,3,3-trifluoropropylamino)pentan-2-ol?
The IUPAC name of 5-(3,3,3-trifluoropropylamino)pentan-2-ol (CID 106130922) is 5-(3,3,3-trifluoropropylamino)pentan-2-ol.
What is the SMILES notation for 5-(3,3,3-trifluoropropylamino)pentan-2-ol?
The canonical SMILES for 5-(3,3,3-trifluoropropylamino)pentan-2-ol is CC(O)CCCNCCC(F)(F)F.
What is the InChIKey of 5-(3,3,3-trifluoropropylamino)pentan-2-ol?
The InChIKey is NCBWFDRLBCHQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3NO/c1-7(13)3-2-5-12-6-4-8(9,10)11/h7,12-13H,2-6H2,1H3.
What are the key properties of 5-(3,3,3-trifluoropropylamino)pentan-2-ol?
5-(3,3,3-trifluoropropylamino)pentan-2-ol has a molecular weight of 199.22 g/mol, XLogP of 1.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3,3-trifluoropropylamino)pentan-2-ol is sourced from PubChem (CID 106130922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).