2-fluoro-5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]propyl]-1-propan-2-yl-3-(trifluoromethyl)benzene

C20H18F8 — CID 126710002

IUPAC2-fluoro-5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]propyl]-1-propan-2-yl-3-(trifluoromethyl)benzene
SMILESCC(C)c1cc(CC(C)c2ccc(F)c(C(F)(F)F)c2)cc(C(F)(F)F)c1F
InChIInChI=1S/C20H18F8/c1-10(2)14-7-12(8-16(18(14)22)20(26,27)28)6-11(3)13-4-5-17(21)15(9-13)19(23,24)25/h4-5,7-11H,6H2,1-3H3
InChIKeySFXUXXRYHQBFRT-UHFFFAOYSA-N
MW410.35 g/mol
LogP7.47
Rot. Bonds4

About 2-fluoro-5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]propyl]-1-propan-2-yl-3-(trifluoromethyl)benzene

2-fluoro-5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]propyl]-1-propan-2-yl-3-(trifluoromethyl)benzene (PubChem CID 126710002) has the molecular formula C20H18F8 and a molecular weight of 410.35 g/mol. Its IUPAC name is 2-fluoro-5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]propyl]-1-propan-2-yl-3-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-fluoro-5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]propyl]-1-propan-2-yl-3-(trifluoromethyl)benzene
PubChem CID126710002
Molecular FormulaC20H18F8
Molecular Weight410.35 g/mol
Exact Mass410.13
IUPAC Name2-fluoro-5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]propyl]-1-propan-2-yl-3-(trifluoromethyl)benzene
SMILESCC(C)c1cc(CC(C)c2ccc(F)c(C(F)(F)F)c2)cc(C(F)(F)F)c1F
InChIInChI=1S/C20H18F8/c1-10(2)14-7-12(8-16(18(14)22)20(26,27)28)6-11(3)13-4-5-17(21)15(9-13)19(23,24)25/h4-5,7-11H,6H2,1-3H3
InChIKeySFXUXXRYHQBFRT-UHFFFAOYSA-N
XLogP7.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.35
LogP ≤ 57.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

N-ethyl-3-[4-fluoro-3-(trifluoromethyl)phenyl]butan-1-amine
CID 107290717
4-butan-2-yl-1-propan-2-yl-2-(trifluoromethyl)benzene
CID 90892155
1-fluoro-4-[(2R)-3-methylbutan-2-yl]-2-(trifluoromethyl)benzene
CID 71056767
4-(2,3-dimethylbutyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 163781390
[1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methylbutyl]hydrazine
CID 105325763
(1S,2R)-1-amino-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylpentan-2-ol;hydrochloride
CID 171267517
N-ethyl-1-[4-fluoro-3-(trifluoromethyl)phenyl]-2,2-dimethylpropan-1-amine
CID 115854344
4-butan-2-yl-2-fluoro-1-(trifluoromethyl)benzene
CID 90930797
1-[4-fluoro-3-(trifluoromethyl)phenyl]butan-1-amine
CID 77277521
(1S)-1-[4-fluoro-3-(trifluoromethyl)phenyl]-3-methylbutan-1-amine
CID 171222157
ethane;1-fluoro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene
CID 169205433
1-[4-fluoro-3-(trifluoromethyl)phenyl]-2-methyl-N-propylpentan-1-amine
CID 107291848

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]propyl]-1-propan-2-yl-3-(trifluoromethyl)benzene?
The IUPAC name of 2-fluoro-5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]propyl]-1-propan-2-yl-3-(trifluoromethyl)benzene (CID 126710002) is 2-fluoro-5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]propyl]-1-propan-2-yl-3-(trifluoromethyl)benzene.
What is the SMILES notation for 2-fluoro-5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]propyl]-1-propan-2-yl-3-(trifluoromethyl)benzene?
The canonical SMILES for 2-fluoro-5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]propyl]-1-propan-2-yl-3-(trifluoromethyl)benzene is CC(C)c1cc(CC(C)c2ccc(F)c(C(F)(F)F)c2)cc(C(F)(F)F)c1F.
What is the InChIKey of 2-fluoro-5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]propyl]-1-propan-2-yl-3-(trifluoromethyl)benzene?
The InChIKey is SFXUXXRYHQBFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F8/c1-10(2)14-7-12(8-16(18(14)22)20(26,27)28)6-11(3)13-4-5-17(21)15(9-13)19(23,24)25/h4-5,7-11H,6H2,1-3H3.
What are the key properties of 2-fluoro-5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]propyl]-1-propan-2-yl-3-(trifluoromethyl)benzene?
2-fluoro-5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]propyl]-1-propan-2-yl-3-(trifluoromethyl)benzene has a molecular weight of 410.35 g/mol, XLogP of 7.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[2-[4-fluoro-3-(trifluoromethyl)phenyl]propyl]-1-propan-2-yl-3-(trifluoromethyl)benzene is sourced from PubChem (CID 126710002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).