(2S)-2-methyl-4-(trifluoromethyl)tricyclo[4.2.0.01,3]oct-7-ene

C10H11F3 — CID 162550374

IUPAC(2S)-2-methyl-4-(trifluoromethyl)tricyclo[4.2.0.01,3]oct-7-ene
SMILESCC1C2C(C(F)(F)F)CC3C=CC312
InChIInChI=1S/C10H11F3/c1-5-8-7(10(11,12)13)4-6-2-3-9(5,6)8/h2-3,5-8H,4H2,1H3
InChIKeyHRANJLPVSUMQRD-UHFFFAOYSA-N
MW188.19 g/mol
LogP3.01
Rot. Bonds

About (2S)-2-methyl-4-(trifluoromethyl)tricyclo[4.2.0.01,3]oct-7-ene

(2S)-2-methyl-4-(trifluoromethyl)tricyclo[4.2.0.01,3]oct-7-ene (PubChem CID 162550374) has the molecular formula C10H11F3 and a molecular weight of 188.19 g/mol. Its IUPAC name is (2S)-2-methyl-4-(trifluoromethyl)tricyclo[4.2.0.01,3]oct-7-ene.

Molecular Properties

Compound Name(2S)-2-methyl-4-(trifluoromethyl)tricyclo[4.2.0.01,3]oct-7-ene
PubChem CID162550374
Molecular FormulaC10H11F3
Molecular Weight188.19 g/mol
Exact Mass188.08
IUPAC Name(2S)-2-methyl-4-(trifluoromethyl)tricyclo[4.2.0.01,3]oct-7-ene
SMILESCC1C2C(C(F)(F)F)CC3C=CC312
InChIInChI=1S/C10H11F3/c1-5-8-7(10(11,12)13)4-6-2-3-9(5,6)8/h2-3,5-8H,4H2,1H3
InChIKeyHRANJLPVSUMQRD-UHFFFAOYSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 53.01
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 (2S)-2-methyl-4-(trifluoromethyl)tricyclo[4.2.0.01,3]oct-7-ene?
The IUPAC name of (2S)-2-methyl-4-(trifluoromethyl)tricyclo[4.2.0.01,3]oct-7-ene (CID 162550374) is (2S)-2-methyl-4-(trifluoromethyl)tricyclo[4.2.0.01,3]oct-7-ene.
What is the SMILES notation for (2S)-2-methyl-4-(trifluoromethyl)tricyclo[4.2.0.01,3]oct-7-ene?
The canonical SMILES for (2S)-2-methyl-4-(trifluoromethyl)tricyclo[4.2.0.01,3]oct-7-ene is CC1C2C(C(F)(F)F)CC3C=CC312.
What is the InChIKey of (2S)-2-methyl-4-(trifluoromethyl)tricyclo[4.2.0.01,3]oct-7-ene?
The InChIKey is HRANJLPVSUMQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3/c1-5-8-7(10(11,12)13)4-6-2-3-9(5,6)8/h2-3,5-8H,4H2,1H3.
What are the key properties of (2S)-2-methyl-4-(trifluoromethyl)tricyclo[4.2.0.01,3]oct-7-ene?
(2S)-2-methyl-4-(trifluoromethyl)tricyclo[4.2.0.01,3]oct-7-ene has a molecular weight of 188.19 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-4-(trifluoromethyl)tricyclo[4.2.0.01,3]oct-7-ene is sourced from PubChem (CID 162550374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).