1-cyclopropyl-4-fluoro-2-[[1-methyl-4-(trifluoromethyl)cyclohexyl]methoxy]benzene

C18H22F4O — CID 141398493

IUPAC1-cyclopropyl-4-fluoro-2-[[1-methyl-4-(trifluoromethyl)cyclohexyl]methoxy]benzene
SMILESCC1(COc2cc(F)ccc2C2CC2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C18H22F4O/c1-17(8-6-13(7-9-17)18(20,21)22)11-23-16-10-14(19)4-5-15(16)12-2-3-12/h4-5,10,12-13H,2-3,6-9,11H2,1H3
InChIKeyLVARDOARSSQTNI-UHFFFAOYSA-N
MW330.37 g/mol
LogP5.84
Rot. Bonds4

About 1-cyclopropyl-4-fluoro-2-[[1-methyl-4-(trifluoromethyl)cyclohexyl]methoxy]benzene

1-cyclopropyl-4-fluoro-2-[[1-methyl-4-(trifluoromethyl)cyclohexyl]methoxy]benzene (PubChem CID 141398493) has the molecular formula C18H22F4O and a molecular weight of 330.37 g/mol. Its IUPAC name is 1-cyclopropyl-4-fluoro-2-[[1-methyl-4-(trifluoromethyl)cyclohexyl]methoxy]benzene.

Molecular Properties

Compound Name1-cyclopropyl-4-fluoro-2-[[1-methyl-4-(trifluoromethyl)cyclohexyl]methoxy]benzene
PubChem CID141398493
Molecular FormulaC18H22F4O
Molecular Weight330.37 g/mol
Exact Mass330.16
IUPAC Name1-cyclopropyl-4-fluoro-2-[[1-methyl-4-(trifluoromethyl)cyclohexyl]methoxy]benzene
SMILESCC1(COc2cc(F)ccc2C2CC2)CCC(C(F)(F)F)CC1
InChIInChI=1S/C18H22F4O/c1-17(8-6-13(7-9-17)18(20,21)22)11-23-16-10-14(19)4-5-15(16)12-2-3-12/h4-5,10,12-13H,2-3,6-9,11H2,1H3
InChIKeyLVARDOARSSQTNI-UHFFFAOYSA-N
XLogP5.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.37
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-cyclopropyl-2-fluoro-N-methylsulfonyl-4-[[1-methyl-4-(trifluoromethyl)cyclohexyl]methoxy]benzamide
CID 90025410
3-[(2-cyclopentyl-4-fluorophenoxy)methyl]-3-methylpyrrolidine
CID 130297112
1-(5-fluoro-2-methoxyphenyl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 82770078
1-(4,4-dimethylcyclohexyl)-4-fluoro-2-methylbenzene
CID 177192416
4-[(2-chloro-4-fluorophenoxy)methyl]-4-methylpiperidine;hydrochloride
CID 156693611
tert-butyl 4-[[2-cyclopropyl-5-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]phenoxy]methyl]-4-methylpiperidine-1-carboxylate
CID 118111001
(4R)-7-fluoro-4'-(trifluoromethyl)spiro[3,4-dihydrochromene-2,1'-cyclohexane]-4-ol
CID 104951727
tert-butyl 5-cyclopropyl-2-fluoro-4-[(3-methylazetidin-3-yl)methoxy]benzoate
CID 118353600
3-bromo-6-cyclopropyl-7-[(4-methylpiperidin-4-yl)methoxy]-[1,2,4]triazolo[4,3-a]pyridine
CID 90456065
5-cyclopropyl-N-cyclopropylsulfinyl-2-fluoro-4-[(6-methylspiro[2.5]octan-6-yl)methoxy]benzamide
CID 123451013
(2S)-1-[5-cyclopropyl-4-[(1,4-dimethylcyclohexyl)methoxy]-2-fluorobenzoyl]pyrrolidine-2-carboxylic acid
CID 130184706
N-[2-[4-(2,4-difluorophenyl)cyclohexyl]ethyl]-1-methylcyclopentan-1-amine
CID 153338455

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-4-fluoro-2-[[1-methyl-4-(trifluoromethyl)cyclohexyl]methoxy]benzene?
The IUPAC name of 1-cyclopropyl-4-fluoro-2-[[1-methyl-4-(trifluoromethyl)cyclohexyl]methoxy]benzene (CID 141398493) is 1-cyclopropyl-4-fluoro-2-[[1-methyl-4-(trifluoromethyl)cyclohexyl]methoxy]benzene.
What is the SMILES notation for 1-cyclopropyl-4-fluoro-2-[[1-methyl-4-(trifluoromethyl)cyclohexyl]methoxy]benzene?
The canonical SMILES for 1-cyclopropyl-4-fluoro-2-[[1-methyl-4-(trifluoromethyl)cyclohexyl]methoxy]benzene is CC1(COc2cc(F)ccc2C2CC2)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-cyclopropyl-4-fluoro-2-[[1-methyl-4-(trifluoromethyl)cyclohexyl]methoxy]benzene?
The InChIKey is LVARDOARSSQTNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F4O/c1-17(8-6-13(7-9-17)18(20,21)22)11-23-16-10-14(19)4-5-15(16)12-2-3-12/h4-5,10,12-13H,2-3,6-9,11H2,1H3.
What are the key properties of 1-cyclopropyl-4-fluoro-2-[[1-methyl-4-(trifluoromethyl)cyclohexyl]methoxy]benzene?
1-cyclopropyl-4-fluoro-2-[[1-methyl-4-(trifluoromethyl)cyclohexyl]methoxy]benzene has a molecular weight of 330.37 g/mol, XLogP of 5.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-4-fluoro-2-[[1-methyl-4-(trifluoromethyl)cyclohexyl]methoxy]benzene is sourced from PubChem (CID 141398493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).