5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-1-ol

C10H20F3NO — CID 62228231

IUPAC5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-1-ol
SMILESCC(C)N(CCCCCO)CC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-9(2)14(8-10(11,12)13)6-4-3-5-7-15/h9,15H,3-8H2,1-2H3
InChIKeyKBIAONQKAKYFMS-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.42
Rot. Bonds7

About 5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-1-ol

5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-1-ol (PubChem CID 62228231) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is 5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-1-ol
PubChem CID62228231
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC Name5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-1-ol
SMILESCC(C)N(CCCCCO)CC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-9(2)14(8-10(11,12)13)6-4-3-5-7-15/h9,15H,3-8H2,1-2H3
InChIKeyKBIAONQKAKYFMS-UHFFFAOYSA-N
XLogP2.42
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-[3-hydroxypropyl(propan-2-yl)amino]heptan-1-ol
CID 178129959
N'-hydroxy-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanimidamide
CID 76912547
N-cyclopropyl-N'-propan-2-yl-N'-(2,2,2-trifluoroethyl)butane-1,4-diamine
CID 62427327
2-[6-hydroxyhexyl(propan-2-yl)amino]acetic acid
CID 107704478
3-[8-methylnonyl(propan-2-yl)amino]propan-1-ol
CID 175071947
3-[propan-2-yl-[2-(2,2,2-trifluoroethoxy)ethyl]amino]propan-1-ol
CID 62015613
2,2-dimethyl-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 65258329
1-amino-2-methyl-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butan-2-ol
CID 64820228
methyl 2-[5-hydroxypentyl(propan-2-yl)amino]acetate
CID 62227556
3-[hept-6-enyl(propan-2-yl)amino]propan-1-ol
CID 107010084
5-[(3-amino-1,1,1-trifluorobutan-2-yl)-methylamino]pentan-1-ol
CID 107198399
2-[6-hydroxyhexyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 107704620

Frequently Asked Questions

What is the IUPAC name of 5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-1-ol?
The IUPAC name of 5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-1-ol (CID 62228231) is 5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-1-ol.
What is the SMILES notation for 5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-1-ol?
The canonical SMILES for 5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-1-ol is CC(C)N(CCCCCO)CC(F)(F)F.
What is the InChIKey of 5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-1-ol?
The InChIKey is KBIAONQKAKYFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-9(2)14(8-10(11,12)13)6-4-3-5-7-15/h9,15H,3-8H2,1-2H3.
What are the key properties of 5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-1-ol?
5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-1-ol has a molecular weight of 227.27 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentan-1-ol is sourced from PubChem (CID 62228231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).