(3,3,3-trifluoro-1-methoxyprop-1-en-2-yl)cyclopentane

C9H13F3O — CID 54408855

IUPAC(3,3,3-trifluoro-1-methoxyprop-1-en-2-yl)cyclopentane
SMILESCOC=C(C1CCCC1)C(F)(F)F
InChIInChI=1S/C9H13F3O/c1-13-6-8(9(10,11)12)7-4-2-3-5-7/h6-7H,2-5H2,1H3
InChIKeyVSRLICPYSINOLX-UHFFFAOYSA-N
MW194.20 g/mol
LogP3.27
Rot. Bonds2

About (3,3,3-trifluoro-1-methoxyprop-1-en-2-yl)cyclopentane

(3,3,3-trifluoro-1-methoxyprop-1-en-2-yl)cyclopentane (PubChem CID 54408855) has the molecular formula C9H13F3O and a molecular weight of 194.20 g/mol. Its IUPAC name is (3,3,3-trifluoro-1-methoxyprop-1-en-2-yl)cyclopentane.

Molecular Properties

Compound Name(3,3,3-trifluoro-1-methoxyprop-1-en-2-yl)cyclopentane
PubChem CID54408855
Molecular FormulaC9H13F3O
Molecular Weight194.20 g/mol
Exact Mass194.09
IUPAC Name(3,3,3-trifluoro-1-methoxyprop-1-en-2-yl)cyclopentane
SMILESCOC=C(C1CCCC1)C(F)(F)F
InChIInChI=1S/C9H13F3O/c1-13-6-8(9(10,11)12)7-4-2-3-5-7/h6-7H,2-5H2,1H3
InChIKeyVSRLICPYSINOLX-UHFFFAOYSA-N
XLogP3.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.20
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3,3,3-trifluoro-1-methoxyprop-1-en-2-yl)cyclopentane?
The IUPAC name of (3,3,3-trifluoro-1-methoxyprop-1-en-2-yl)cyclopentane (CID 54408855) is (3,3,3-trifluoro-1-methoxyprop-1-en-2-yl)cyclopentane.
What is the SMILES notation for (3,3,3-trifluoro-1-methoxyprop-1-en-2-yl)cyclopentane?
The canonical SMILES for (3,3,3-trifluoro-1-methoxyprop-1-en-2-yl)cyclopentane is COC=C(C1CCCC1)C(F)(F)F.
What is the InChIKey of (3,3,3-trifluoro-1-methoxyprop-1-en-2-yl)cyclopentane?
The InChIKey is VSRLICPYSINOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3O/c1-13-6-8(9(10,11)12)7-4-2-3-5-7/h6-7H,2-5H2,1H3.
What are the key properties of (3,3,3-trifluoro-1-methoxyprop-1-en-2-yl)cyclopentane?
(3,3,3-trifluoro-1-methoxyprop-1-en-2-yl)cyclopentane has a molecular weight of 194.20 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3,3-trifluoro-1-methoxyprop-1-en-2-yl)cyclopentane is sourced from PubChem (CID 54408855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).