1-methylidene-3-(4,4,4-trifluorobutyl)cyclopentane

C10H15F3 — CID 146409145

IUPAC1-methylidene-3-(4,4,4-trifluorobutyl)cyclopentane
SMILESC=C1CCC(CCCC(F)(F)F)C1
InChIInChI=1S/C10H15F3/c1-8-4-5-9(7-8)3-2-6-10(11,12)13/h9H,1-7H2
InChIKeySYRMHLLGCBGADU-UHFFFAOYSA-N
MW192.22 g/mol
LogP4.08
Rot. Bonds3

About 1-methylidene-3-(4,4,4-trifluorobutyl)cyclopentane

1-methylidene-3-(4,4,4-trifluorobutyl)cyclopentane (PubChem CID 146409145) has the molecular formula C10H15F3 and a molecular weight of 192.22 g/mol. Its IUPAC name is 1-methylidene-3-(4,4,4-trifluorobutyl)cyclopentane.

Molecular Properties

Compound Name1-methylidene-3-(4,4,4-trifluorobutyl)cyclopentane
PubChem CID146409145
Molecular FormulaC10H15F3
Molecular Weight192.22 g/mol
Exact Mass192.11
IUPAC Name1-methylidene-3-(4,4,4-trifluorobutyl)cyclopentane
SMILESC=C1CCC(CCCC(F)(F)F)C1
InChIInChI=1S/C10H15F3/c1-8-4-5-9(7-8)3-2-6-10(11,12)13/h9H,1-7H2
InChIKeySYRMHLLGCBGADU-UHFFFAOYSA-N
XLogP4.08
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methylidene-3-(4,4,4-trifluorobutyl)cyclopentane?
The IUPAC name of 1-methylidene-3-(4,4,4-trifluorobutyl)cyclopentane (CID 146409145) is 1-methylidene-3-(4,4,4-trifluorobutyl)cyclopentane.
What is the SMILES notation for 1-methylidene-3-(4,4,4-trifluorobutyl)cyclopentane?
The canonical SMILES for 1-methylidene-3-(4,4,4-trifluorobutyl)cyclopentane is C=C1CCC(CCCC(F)(F)F)C1.
What is the InChIKey of 1-methylidene-3-(4,4,4-trifluorobutyl)cyclopentane?
The InChIKey is SYRMHLLGCBGADU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3/c1-8-4-5-9(7-8)3-2-6-10(11,12)13/h9H,1-7H2.
What are the key properties of 1-methylidene-3-(4,4,4-trifluorobutyl)cyclopentane?
1-methylidene-3-(4,4,4-trifluorobutyl)cyclopentane has a molecular weight of 192.22 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylidene-3-(4,4,4-trifluorobutyl)cyclopentane is sourced from PubChem (CID 146409145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).