3-fluoro-5-[[4-(trifluoromethyl)cyclohexyl]methoxy]phenol

C14H16F4O2 — CID 146557307

IUPAC3-fluoro-5-[[4-(trifluoromethyl)cyclohexyl]methoxy]phenol
SMILESOc1cc(F)cc(OCC2CCC(C(F)(F)F)CC2)c1
InChIInChI=1S/C14H16F4O2/c15-11-5-12(19)7-13(6-11)20-8-9-1-3-10(4-2-9)14(16,17)18/h5-7,9-10,19H,1-4,8H2
InChIKeyLFTZZDIDQGWJSR-UHFFFAOYSA-N
MW292.27 g/mol
LogP4.28
Rot. Bonds3

About 3-fluoro-5-[[4-(trifluoromethyl)cyclohexyl]methoxy]phenol

3-fluoro-5-[[4-(trifluoromethyl)cyclohexyl]methoxy]phenol (PubChem CID 146557307) has the molecular formula C14H16F4O2 and a molecular weight of 292.27 g/mol. Its IUPAC name is 3-fluoro-5-[[4-(trifluoromethyl)cyclohexyl]methoxy]phenol.

Molecular Properties

Compound Name3-fluoro-5-[[4-(trifluoromethyl)cyclohexyl]methoxy]phenol
PubChem CID146557307
Molecular FormulaC14H16F4O2
Molecular Weight292.27 g/mol
Exact Mass292.11
IUPAC Name3-fluoro-5-[[4-(trifluoromethyl)cyclohexyl]methoxy]phenol
SMILESOc1cc(F)cc(OCC2CCC(C(F)(F)F)CC2)c1
InChIInChI=1S/C14H16F4O2/c15-11-5-12(19)7-13(6-11)20-8-9-1-3-10(4-2-9)14(16,17)18/h5-7,9-10,19H,1-4,8H2
InChIKeyLFTZZDIDQGWJSR-UHFFFAOYSA-N
XLogP4.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(cyclopropylmethoxy)-5-fluoroaniline
CID 80751840
[3-(cyclopropylmethoxy)-5-fluorophenyl]boronic acid
CID 81332154
4-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyridine
CID 150180283
3-(cyclobutylmethoxy)-5-methylphenol
CID 107679985
2-[[4-[(3-fluoro-5-hydroxyphenoxy)methyl]cyclohexyl]methyl]-6-hydroxy-3H-isoindol-1-one
CID 118186551
1-[3-(cyclobutylmethoxy)-5-fluorophenyl]-2-methylpropan-2-amine
CID 117382059
1-[3-(cyclobutylmethoxy)-5-fluorophenyl]ethanone
CID 84687564
1-(cyclopropylmethoxy)-3-fluoro-5-nitrobenzene
CID 80752883
4-[[4-[(4-hydroxyphenoxy)methyl]cyclohexyl]methoxy]phenol
CID 118229789
(1S)-1-[3-(cyclopropylmethoxy)-5-fluorophenyl]-N-methylethanamine
CID 135220431
ethane;4-methyl-6-[[4-(trifluoromethyl)cyclohexyl]methoxy]pyrimidine
CID 176691029
1-(cyclobutylidenemethyl)-3-(cyclopropylmethoxy)-5-fluorobenzene
CID 142360754

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[[4-(trifluoromethyl)cyclohexyl]methoxy]phenol?
The IUPAC name of 3-fluoro-5-[[4-(trifluoromethyl)cyclohexyl]methoxy]phenol (CID 146557307) is 3-fluoro-5-[[4-(trifluoromethyl)cyclohexyl]methoxy]phenol.
What is the SMILES notation for 3-fluoro-5-[[4-(trifluoromethyl)cyclohexyl]methoxy]phenol?
The canonical SMILES for 3-fluoro-5-[[4-(trifluoromethyl)cyclohexyl]methoxy]phenol is Oc1cc(F)cc(OCC2CCC(C(F)(F)F)CC2)c1.
What is the InChIKey of 3-fluoro-5-[[4-(trifluoromethyl)cyclohexyl]methoxy]phenol?
The InChIKey is LFTZZDIDQGWJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F4O2/c15-11-5-12(19)7-13(6-11)20-8-9-1-3-10(4-2-9)14(16,17)18/h5-7,9-10,19H,1-4,8H2.
What are the key properties of 3-fluoro-5-[[4-(trifluoromethyl)cyclohexyl]methoxy]phenol?
3-fluoro-5-[[4-(trifluoromethyl)cyclohexyl]methoxy]phenol has a molecular weight of 292.27 g/mol, XLogP of 4.28, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[[4-(trifluoromethyl)cyclohexyl]methoxy]phenol is sourced from PubChem (CID 146557307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).