1,1,1-trifluoro-5-pentan-2-yloxypentane

C10H19F3O — CID 54355138

IUPAC1,1,1-trifluoro-5-pentan-2-yloxypentane
SMILESCCCC(C)OCCCCC(F)(F)F
InChIInChI=1S/C10H19F3O/c1-3-6-9(2)14-8-5-4-7-10(11,12)13/h9H,3-8H2,1-2H3
InChIKeyXONZMRMMUVIXDU-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.92
Rot. Bonds7

About 1,1,1-trifluoro-5-pentan-2-yloxypentane

1,1,1-trifluoro-5-pentan-2-yloxypentane (PubChem CID 54355138) has the molecular formula C10H19F3O and a molecular weight of 212.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-5-pentan-2-yloxypentane.

Molecular Properties

Compound Name1,1,1-trifluoro-5-pentan-2-yloxypentane
PubChem CID54355138
Molecular FormulaC10H19F3O
Molecular Weight212.25 g/mol
Exact Mass212.14
IUPAC Name1,1,1-trifluoro-5-pentan-2-yloxypentane
SMILESCCCC(C)OCCCCC(F)(F)F
InChIInChI=1S/C10H19F3O/c1-3-6-9(2)14-8-5-4-7-10(11,12)13/h9H,3-8H2,1-2H3
InChIKeyXONZMRMMUVIXDU-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-amino-2-methyl-6-pentan-2-yloxyhexan-1-ol
CID 102988227
N-propyl-2-(4,4,4-trifluorobutoxy)propan-1-amine
CID 82792300
2,2-dimethyl-5-pentan-2-yloxypentan-1-amine
CID 102980855
2-methyl-2-(methylamino)-6-pentan-2-yloxyhexanoic acid
CID 102984383
N-(2-methylpropyl)-4-(4,4,4-trifluorobutoxy)pentan-1-amine
CID 82793365
4-pentan-2-yloxy-N-propan-2-ylbutan-1-amine
CID 102986841
1-octan-2-yloxydecane
CID 86220707
1-hexan-2-yloxydecane
CID 57029724
1-nonan-2-yloxyoctadecane
CID 88815684
2-decoxyundecane
CID 151498473
1-undecan-2-yloxypentadecane
CID 174433069
N-[2-(4,4,4-trifluorobutoxy)propyl]butan-2-amine
CID 82793136

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-5-pentan-2-yloxypentane?
The IUPAC name of 1,1,1-trifluoro-5-pentan-2-yloxypentane (CID 54355138) is 1,1,1-trifluoro-5-pentan-2-yloxypentane.
What is the SMILES notation for 1,1,1-trifluoro-5-pentan-2-yloxypentane?
The canonical SMILES for 1,1,1-trifluoro-5-pentan-2-yloxypentane is CCCC(C)OCCCCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-5-pentan-2-yloxypentane?
The InChIKey is XONZMRMMUVIXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3O/c1-3-6-9(2)14-8-5-4-7-10(11,12)13/h9H,3-8H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-5-pentan-2-yloxypentane?
1,1,1-trifluoro-5-pentan-2-yloxypentane has a molecular weight of 212.25 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-5-pentan-2-yloxypentane is sourced from PubChem (CID 54355138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).