1-[(4-methylcyclohexyl)methoxy]-4-[3,3,3-trifluoro-2-(methoxymethyl)propyl]benzene

C19H27F3O2 — CID 139813289

IUPAC1-[(4-methylcyclohexyl)methoxy]-4-[3,3,3-trifluoro-2-(methoxymethyl)propyl]benzene
SMILESCOCC(Cc1ccc(OCC2CCC(C)CC2)cc1)C(F)(F)F
InChIInChI=1S/C19H27F3O2/c1-14-3-5-16(6-4-14)12-24-18-9-7-15(8-10-18)11-17(13-23-2)19(20,21)22/h7-10,14,16-17H,3-6,11-13H2,1-2H3
InChIKeyCGMGGBZWGKMOGP-UHFFFAOYSA-N
MW344.42 g/mol
LogP5.26
Rot. Bonds7

About 1-[(4-methylcyclohexyl)methoxy]-4-[3,3,3-trifluoro-2-(methoxymethyl)propyl]benzene

1-[(4-methylcyclohexyl)methoxy]-4-[3,3,3-trifluoro-2-(methoxymethyl)propyl]benzene (PubChem CID 139813289) has the molecular formula C19H27F3O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1-[(4-methylcyclohexyl)methoxy]-4-[3,3,3-trifluoro-2-(methoxymethyl)propyl]benzene.

Molecular Properties

Compound Name1-[(4-methylcyclohexyl)methoxy]-4-[3,3,3-trifluoro-2-(methoxymethyl)propyl]benzene
PubChem CID139813289
Molecular FormulaC19H27F3O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name1-[(4-methylcyclohexyl)methoxy]-4-[3,3,3-trifluoro-2-(methoxymethyl)propyl]benzene
SMILESCOCC(Cc1ccc(OCC2CCC(C)CC2)cc1)C(F)(F)F
InChIInChI=1S/C19H27F3O2/c1-14-3-5-16(6-4-14)12-24-18-9-7-15(8-10-18)11-17(13-23-2)19(20,21)22/h7-10,14,16-17H,3-6,11-13H2,1-2H3
InChIKeyCGMGGBZWGKMOGP-UHFFFAOYSA-N
XLogP5.26
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.42
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Etofenprox
CID 71245
4-Nonylphenol diethoxylate
CID 24773
4-Methoxybiphenyl
CID 11943
Carvacryl ethyl ether
CID 527268
2-(p-Nonylphenoxy)ethanol
CID 7700
1,1'-(Ethane-1,2-diylbis(oxy))bis(3-methylbenzene)
CID 97354
Halfenprox
CID 10140464
Bisphenol A bis(2-hydroxyethyl)ether
CID 61909
4'-(Pentyloxy)(1,1'-biphenyl)-4-carbonitrile
CID 104171
(1,1'-Biphenyl)-4-carbonitrile, 4'-(heptyloxy)-
CID 104172
(1,1'-Biphenyl)-4-carbonitrile, 4'-butoxy-
CID 104292
2-(4-Ethoxyphenyl)-2-methylpropanol
CID 158525

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylcyclohexyl)methoxy]-4-[3,3,3-trifluoro-2-(methoxymethyl)propyl]benzene?
The IUPAC name of 1-[(4-methylcyclohexyl)methoxy]-4-[3,3,3-trifluoro-2-(methoxymethyl)propyl]benzene (CID 139813289) is 1-[(4-methylcyclohexyl)methoxy]-4-[3,3,3-trifluoro-2-(methoxymethyl)propyl]benzene.
What is the SMILES notation for 1-[(4-methylcyclohexyl)methoxy]-4-[3,3,3-trifluoro-2-(methoxymethyl)propyl]benzene?
The canonical SMILES for 1-[(4-methylcyclohexyl)methoxy]-4-[3,3,3-trifluoro-2-(methoxymethyl)propyl]benzene is COCC(Cc1ccc(OCC2CCC(C)CC2)cc1)C(F)(F)F.
What is the InChIKey of 1-[(4-methylcyclohexyl)methoxy]-4-[3,3,3-trifluoro-2-(methoxymethyl)propyl]benzene?
The InChIKey is CGMGGBZWGKMOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F3O2/c1-14-3-5-16(6-4-14)12-24-18-9-7-15(8-10-18)11-17(13-23-2)19(20,21)22/h7-10,14,16-17H,3-6,11-13H2,1-2H3.
What are the key properties of 1-[(4-methylcyclohexyl)methoxy]-4-[3,3,3-trifluoro-2-(methoxymethyl)propyl]benzene?
1-[(4-methylcyclohexyl)methoxy]-4-[3,3,3-trifluoro-2-(methoxymethyl)propyl]benzene has a molecular weight of 344.42 g/mol, XLogP of 5.26, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylcyclohexyl)methoxy]-4-[3,3,3-trifluoro-2-(methoxymethyl)propyl]benzene is sourced from PubChem (CID 139813289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).