1-heptyl-1-(trifluoromethyl)cyclopentane

C13H23F3 — CID 14342929

IUPAC1-heptyl-1-(trifluoromethyl)cyclopentane
SMILESCCCCCCCC1(C(F)(F)F)CCCC1
InChIInChI=1S/C13H23F3/c1-2-3-4-5-6-9-12(13(14,15)16)10-7-8-11-12/h2-11H2,1H3
InChIKeyYDTCFDWTGGDFLT-UHFFFAOYSA-N
MW236.32 g/mol
LogP5.47
Rot. Bonds6

About 1-heptyl-1-(trifluoromethyl)cyclopentane

1-heptyl-1-(trifluoromethyl)cyclopentane (PubChem CID 14342929) has the molecular formula C13H23F3 and a molecular weight of 236.32 g/mol. Its IUPAC name is 1-heptyl-1-(trifluoromethyl)cyclopentane.

Molecular Properties

Compound Name1-heptyl-1-(trifluoromethyl)cyclopentane
PubChem CID14342929
Molecular FormulaC13H23F3
Molecular Weight236.32 g/mol
Exact Mass236.18
IUPAC Name1-heptyl-1-(trifluoromethyl)cyclopentane
SMILESCCCCCCCC1(C(F)(F)F)CCCC1
InChIInChI=1S/C13H23F3/c1-2-3-4-5-6-9-12(13(14,15)16)10-7-8-11-12/h2-11H2,1H3
InChIKeyYDTCFDWTGGDFLT-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.32
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-heptyl-1-(trifluoromethyl)cyclopentane?
The IUPAC name of 1-heptyl-1-(trifluoromethyl)cyclopentane (CID 14342929) is 1-heptyl-1-(trifluoromethyl)cyclopentane.
What is the SMILES notation for 1-heptyl-1-(trifluoromethyl)cyclopentane?
The canonical SMILES for 1-heptyl-1-(trifluoromethyl)cyclopentane is CCCCCCCC1(C(F)(F)F)CCCC1.
What is the InChIKey of 1-heptyl-1-(trifluoromethyl)cyclopentane?
The InChIKey is YDTCFDWTGGDFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3/c1-2-3-4-5-6-9-12(13(14,15)16)10-7-8-11-12/h2-11H2,1H3.
What are the key properties of 1-heptyl-1-(trifluoromethyl)cyclopentane?
1-heptyl-1-(trifluoromethyl)cyclopentane has a molecular weight of 236.32 g/mol, XLogP of 5.47, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-heptyl-1-(trifluoromethyl)cyclopentane is sourced from PubChem (CID 14342929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).