1-(3-ethyl-3-methyloctan-2-yl)-3,5-bis(trifluoromethyl)benzene

C19H26F6 — CID 130251073

IUPAC1-(3-ethyl-3-methyloctan-2-yl)-3,5-bis(trifluoromethyl)benzene
SMILESCCCCCC(C)(CC)C(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H26F6/c1-5-7-8-9-17(4,6-2)13(3)14-10-15(18(20,21)22)12-16(11-14)19(23,24)25/h10-13H,5-9H2,1-4H3
InChIKeyZHEFLWBYTADVKB-UHFFFAOYSA-N
MW368.41 g/mol
LogP7.82
Rot. Bonds7

About 1-(3-ethyl-3-methyloctan-2-yl)-3,5-bis(trifluoromethyl)benzene

1-(3-ethyl-3-methyloctan-2-yl)-3,5-bis(trifluoromethyl)benzene (PubChem CID 130251073) has the molecular formula C19H26F6 and a molecular weight of 368.41 g/mol. Its IUPAC name is 1-(3-ethyl-3-methyloctan-2-yl)-3,5-bis(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(3-ethyl-3-methyloctan-2-yl)-3,5-bis(trifluoromethyl)benzene
PubChem CID130251073
Molecular FormulaC19H26F6
Molecular Weight368.41 g/mol
Exact Mass368.19
IUPAC Name1-(3-ethyl-3-methyloctan-2-yl)-3,5-bis(trifluoromethyl)benzene
SMILESCCCCCC(C)(CC)C(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C19H26F6/c1-5-7-8-9-17(4,6-2)13(3)14-10-15(18(20,21)22)12-16(11-14)19(23,24)25/h10-13H,5-9H2,1-4H3
InChIKeyZHEFLWBYTADVKB-UHFFFAOYSA-N
XLogP7.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.41
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-(3-ethyl-3-methyloctan-2-yl)-3,5-bis(trifluoromethyl)benzene with MolForge

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

Launch Full Analysis

Related Compounds

1-(3-ethyl-3-methylpentan-2-yl)-3,5-bis(trifluoromethyl)benzene
CID 145045291
1-[3,5-bis(trifluoromethyl)phenyl]ethanol;pentane
CID 143627234
3-ethyl-2,3-dimethylnonane
CID 57490996
3-ethyl-2,3-dimethyldecane
CID 57491701
1-(2-methylpentan-2-yl)-3,5-bis(trifluoromethyl)benzene
CID 129136157
3-hexan-2-yl-5-(trifluoromethyl)pyridine
CID 134266462
6-methyl-6-propan-2-ylundecane
CID 87930599
2-[3,5-bis(trifluoromethyl)phenyl]hexan-3-ol
CID 83052238
N-[[(2R)-nonan-2-yl]sulfanylmethyl]-3,5-bis(trifluoromethyl)aniline
CID 129162483
1-[3,5-bis(trifluoromethyl)phenyl]propan-1-amine
CID 18543623
1-(3-bromopentan-2-yl)-3,5-bis(trifluoromethyl)benzene
CID 79308013
1-tert-butyl-3-(difluoromethyl)-5-(trifluoromethyl)benzene
CID 165377879

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethyl-3-methyloctan-2-yl)-3,5-bis(trifluoromethyl)benzene?
The IUPAC name of 1-(3-ethyl-3-methyloctan-2-yl)-3,5-bis(trifluoromethyl)benzene (CID 130251073) is 1-(3-ethyl-3-methyloctan-2-yl)-3,5-bis(trifluoromethyl)benzene.
What is the SMILES notation for 1-(3-ethyl-3-methyloctan-2-yl)-3,5-bis(trifluoromethyl)benzene?
The canonical SMILES for 1-(3-ethyl-3-methyloctan-2-yl)-3,5-bis(trifluoromethyl)benzene is CCCCCC(C)(CC)C(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-(3-ethyl-3-methyloctan-2-yl)-3,5-bis(trifluoromethyl)benzene?
The InChIKey is ZHEFLWBYTADVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F6/c1-5-7-8-9-17(4,6-2)13(3)14-10-15(18(20,21)22)12-16(11-14)19(23,24)25/h10-13H,5-9H2,1-4H3.
What are the key properties of 1-(3-ethyl-3-methyloctan-2-yl)-3,5-bis(trifluoromethyl)benzene?
1-(3-ethyl-3-methyloctan-2-yl)-3,5-bis(trifluoromethyl)benzene has a molecular weight of 368.41 g/mol, XLogP of 7.82, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethyl-3-methyloctan-2-yl)-3,5-bis(trifluoromethyl)benzene is sourced from PubChem (CID 130251073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).