1-(3,7-dimethyloctyl)-3-(trifluoromethyl)benzene

C17H25F3 — CID 177308905

IUPAC1-(3,7-dimethyloctyl)-3-(trifluoromethyl)benzene
SMILESCC(C)CCCC(C)CCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H25F3/c1-13(2)6-4-7-14(3)10-11-15-8-5-9-16(12-15)17(18,19)20/h5,8-9,12-14H,4,6-7,10-11H2,1-3H3
InChIKeyOVEKDNNGHONRMO-UHFFFAOYSA-N
MW286.38 g/mol
LogP6.10
Rot. Bonds7

About 1-(3,7-dimethyloctyl)-3-(trifluoromethyl)benzene

1-(3,7-dimethyloctyl)-3-(trifluoromethyl)benzene (PubChem CID 177308905) has the molecular formula C17H25F3 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-(3,7-dimethyloctyl)-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(3,7-dimethyloctyl)-3-(trifluoromethyl)benzene
PubChem CID177308905
Molecular FormulaC17H25F3
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name1-(3,7-dimethyloctyl)-3-(trifluoromethyl)benzene
SMILESCC(C)CCCC(C)CCc1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H25F3/c1-13(2)6-4-7-14(3)10-11-15-8-5-9-16(12-15)17(18,19)20/h5,8-9,12-14H,4,6-7,10-11H2,1-3H3
InChIKeyOVEKDNNGHONRMO-UHFFFAOYSA-N
XLogP6.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.38
LogP ≤ 56.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-(4-chloro-3-methylbutyl)-3-(trifluoromethyl)benzene
CID 64665255
2-methyl-N-(2-methylpropyl)-4-[3-(trifluoromethyl)phenyl]butan-1-amine
CID 64665232
tris(3-methylbutyl)-[[3-(trifluoromethyl)phenyl]methyl]azanium
CID 13080634
1-[3-(trifluoromethyl)phenyl]hexan-3-ol
CID 55134975
sodium 1-hydroxy-3-[3-(trifluoromethyl)phenyl]propane-1-sulfonate
CID 134860445
N-propyl-4-[3-(trifluoromethyl)phenyl]butan-2-amine
CID 60996965
CID 90174130
CID 90174130
N-methyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 23512860
1-(2-iodopropyl)-3-(trifluoromethyl)benzene
CID 135032501
1-[3-(trifluoromethyl)phenyl]heptan-4-ol
CID 64513695
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
1-(4-methylpentyl)-3-(trifluoromethyl)benzene;N-[(4-methyl-3H-pyrrol-2-yl)methyl]propan-2-amine
CID 167690283

Frequently Asked Questions

What is the IUPAC name of 1-(3,7-dimethyloctyl)-3-(trifluoromethyl)benzene?
The IUPAC name of 1-(3,7-dimethyloctyl)-3-(trifluoromethyl)benzene (CID 177308905) is 1-(3,7-dimethyloctyl)-3-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(3,7-dimethyloctyl)-3-(trifluoromethyl)benzene?
The canonical SMILES for 1-(3,7-dimethyloctyl)-3-(trifluoromethyl)benzene is CC(C)CCCC(C)CCc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-(3,7-dimethyloctyl)-3-(trifluoromethyl)benzene?
The InChIKey is OVEKDNNGHONRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3/c1-13(2)6-4-7-14(3)10-11-15-8-5-9-16(12-15)17(18,19)20/h5,8-9,12-14H,4,6-7,10-11H2,1-3H3.
What are the key properties of 1-(3,7-dimethyloctyl)-3-(trifluoromethyl)benzene?
1-(3,7-dimethyloctyl)-3-(trifluoromethyl)benzene has a molecular weight of 286.38 g/mol, XLogP of 6.10, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,7-dimethyloctyl)-3-(trifluoromethyl)benzene is sourced from PubChem (CID 177308905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).