[8-(trifluoromethyl)-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methanol

C19H18F6O2 — CID 90028445

IUPAC[8-(trifluoromethyl)-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methanol
SMILESOCc1ccc2ccc(OC3CCC(C(F)(F)F)CC3)c(C(F)(F)F)c2c1
InChIInChI=1S/C19H18F6O2/c20-18(21,22)13-4-6-14(7-5-13)27-16-8-3-12-2-1-11(10-26)9-15(12)17(16)19(23,24)25/h1-3,8-9,13-14,26H,4-7,10H2
InChIKeyGLZQSIFHZDDTNX-UHFFFAOYSA-N
MW392.34 g/mol
LogP5.85
Rot. Bonds3

About [8-(trifluoromethyl)-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methanol

[8-(trifluoromethyl)-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methanol (PubChem CID 90028445) has the molecular formula C19H18F6O2 and a molecular weight of 392.34 g/mol. Its IUPAC name is [8-(trifluoromethyl)-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methanol.

Molecular Properties

Compound Name[8-(trifluoromethyl)-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methanol
PubChem CID90028445
Molecular FormulaC19H18F6O2
Molecular Weight392.34 g/mol
Exact Mass392.12
IUPAC Name[8-(trifluoromethyl)-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methanol
SMILESOCc1ccc2ccc(OC3CCC(C(F)(F)F)CC3)c(C(F)(F)F)c2c1
InChIInChI=1S/C19H18F6O2/c20-18(21,22)13-4-6-14(7-5-13)27-16-8-3-12-2-1-11(10-26)9-15(12)17(16)19(23,24)25/h1-3,8-9,13-14,26H,4-7,10H2
InChIKeyGLZQSIFHZDDTNX-UHFFFAOYSA-N
XLogP5.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.34
LogP ≤ 55.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(3R)-1-[[8-(trifluoromethyl)-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]piperidin-3-yl]acetic acid
CID 90028254
7-(2-bromoethyl)-2-(4-methylcyclohexyl)oxy-1-(trifluoromethyl)naphthalene
CID 90027600
9-[[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 73052950
(1S,5R)-9-[[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]-9-azabicyclo[3.3.1]nonane-3-carboxylic acid
CID 72725208
2-[8-chloro-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]acetaldehyde
CID 141401075
2-[4-(1,1-difluoroethyl)cyclohexyl]oxy-6-propyl-1-(trifluoromethyl)naphthalene
CID 68607969
(1S,5R)-3-[[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]-3-azabicyclo[3.3.1]nonane-7-carboxylic acid
CID 118235922
2-[(3S)-1-[[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]pyrrolidin-3-yl]acetic acid
CID 73051049
1-[[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]-1-azaspiro[2.3]hexane-5-carboxylic acid
CID 90026273
5-[[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methyl]-5-azaspiro[2.3]hexane-2-carboxylic acid
CID 90025700
azepan-1-yl-[5-(trifluoromethyl)-6-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methanone
CID 154046630
4-[[(1R)-1-[8-(trifluoromethyl)-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]ethyl]amino]cyclohexane-1-carboxylic acid
CID 73292730

Frequently Asked Questions

What is the IUPAC name of [8-(trifluoromethyl)-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methanol?
The IUPAC name of [8-(trifluoromethyl)-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methanol (CID 90028445) is [8-(trifluoromethyl)-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methanol.
What is the SMILES notation for [8-(trifluoromethyl)-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methanol?
The canonical SMILES for [8-(trifluoromethyl)-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methanol is OCc1ccc2ccc(OC3CCC(C(F)(F)F)CC3)c(C(F)(F)F)c2c1.
What is the InChIKey of [8-(trifluoromethyl)-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methanol?
The InChIKey is GLZQSIFHZDDTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F6O2/c20-18(21,22)13-4-6-14(7-5-13)27-16-8-3-12-2-1-11(10-26)9-15(12)17(16)19(23,24)25/h1-3,8-9,13-14,26H,4-7,10H2.
What are the key properties of [8-(trifluoromethyl)-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methanol?
[8-(trifluoromethyl)-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methanol has a molecular weight of 392.34 g/mol, XLogP of 5.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(trifluoromethyl)-7-[4-(trifluoromethyl)cyclohexyl]oxynaphthalen-2-yl]methanol is sourced from PubChem (CID 90028445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).