(2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-yl-6-(trifluoromethyl)-2,3,7,8-tetrahydro-1H-naphthalene

C16H21F3 — CID 134838491

IUPAC(2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-yl-6-(trifluoromethyl)-2,3,7,8-tetrahydro-1H-naphthalene
SMILESC=C(C)[C@@H]1CC=C2C=C(C(F)(F)F)C[C@@H](C)[C@]2(C)C1
InChIInChI=1S/C16H21F3/c1-10(2)12-5-6-13-8-14(16(17,18)19)7-11(3)15(13,4)9-12/h6,8,11-12H,1,5,7,9H2,2-4H3/t11-,12-,15+/m1/s1
InChIKeyFSZPOMZWXCBJLP-JMSVASOKSA-N
MW270.34 g/mol
LogP5.43
Rot. Bonds1

About (2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-yl-6-(trifluoromethyl)-2,3,7,8-tetrahydro-1H-naphthalene

(2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-yl-6-(trifluoromethyl)-2,3,7,8-tetrahydro-1H-naphthalene (PubChem CID 134838491) has the molecular formula C16H21F3 and a molecular weight of 270.34 g/mol. Its IUPAC name is (2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-yl-6-(trifluoromethyl)-2,3,7,8-tetrahydro-1H-naphthalene.

Molecular Properties

Compound Name(2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-yl-6-(trifluoromethyl)-2,3,7,8-tetrahydro-1H-naphthalene
PubChem CID134838491
Molecular FormulaC16H21F3
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name(2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-yl-6-(trifluoromethyl)-2,3,7,8-tetrahydro-1H-naphthalene
SMILESC=C(C)[C@@H]1CC=C2C=C(C(F)(F)F)C[C@@H](C)[C@]2(C)C1
InChIInChI=1S/C16H21F3/c1-10(2)12-5-6-13-8-14(16(17,18)19)7-11(3)15(13,4)9-12/h6,8,11-12H,1,5,7,9H2,2-4H3/t11-,12-,15+/m1/s1
InChIKeyFSZPOMZWXCBJLP-JMSVASOKSA-N
XLogP5.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.34
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze (2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-yl-6-(trifluoromethyl)-2,3,7,8-tetrahydro-1H-naphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-yl-6-(trifluoromethyl)-2,3,7,8-tetrahydro-1H-naphthalene?
The IUPAC name of (2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-yl-6-(trifluoromethyl)-2,3,7,8-tetrahydro-1H-naphthalene (CID 134838491) is (2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-yl-6-(trifluoromethyl)-2,3,7,8-tetrahydro-1H-naphthalene.
What is the SMILES notation for (2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-yl-6-(trifluoromethyl)-2,3,7,8-tetrahydro-1H-naphthalene?
The canonical SMILES for (2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-yl-6-(trifluoromethyl)-2,3,7,8-tetrahydro-1H-naphthalene is C=C(C)[C@@H]1CC=C2C=C(C(F)(F)F)C[C@@H](C)[C@]2(C)C1.
What is the InChIKey of (2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-yl-6-(trifluoromethyl)-2,3,7,8-tetrahydro-1H-naphthalene?
The InChIKey is FSZPOMZWXCBJLP-JMSVASOKSA-N. The full InChI is InChI=1S/C16H21F3/c1-10(2)12-5-6-13-8-14(16(17,18)19)7-11(3)15(13,4)9-12/h6,8,11-12H,1,5,7,9H2,2-4H3/t11-,12-,15+/m1/s1.
What are the key properties of (2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-yl-6-(trifluoromethyl)-2,3,7,8-tetrahydro-1H-naphthalene?
(2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-yl-6-(trifluoromethyl)-2,3,7,8-tetrahydro-1H-naphthalene has a molecular weight of 270.34 g/mol, XLogP of 5.43, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8R,8aS)-8,8a-dimethyl-2-prop-1-en-2-yl-6-(trifluoromethyl)-2,3,7,8-tetrahydro-1H-naphthalene is sourced from PubChem (CID 134838491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).