trans-(1R,2R)-2-(4-chloro-3-fluorophenoxy)cyclohexan-1-ol

C12H14ClFO2 — CID 102732681

IUPACtrans-(1R,2R)-2-(4-chloro-3-fluorophenoxy)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1Oc1ccc(Cl)c(F)c1
InChIInChI=1S/C12H14ClFO2/c13-9-6-5-8(7-10(9)14)16-12-4-2-1-3-11(12)15/h5-7,11-12,15H,1-4H2/t11-,12-/m1/s1
InChIKeyODGPVXOMJIFRGS-VXGBXAGGSA-N
MW244.69 g/mol
LogP3.16
Rot. Bonds2

About trans-(1R,2R)-2-(4-chloro-3-fluorophenoxy)cyclohexan-1-ol

trans-(1R,2R)-2-(4-chloro-3-fluorophenoxy)cyclohexan-1-ol (PubChem CID 102732681) has the molecular formula C12H14ClFO2 and a molecular weight of 244.69 g/mol. Its IUPAC name is trans-(1R,2R)-2-(4-chloro-3-fluorophenoxy)cyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(4-chloro-3-fluorophenoxy)cyclohexan-1-ol
PubChem CID102732681
Molecular FormulaC12H14ClFO2
Molecular Weight244.69 g/mol
Exact Mass244.07
IUPAC Nametrans-(1R,2R)-2-(4-chloro-3-fluorophenoxy)cyclohexan-1-ol
SMILESO[C@@H]1CCCC[C@H]1Oc1ccc(Cl)c(F)c1
InChIInChI=1S/C12H14ClFO2/c13-9-6-5-8(7-10(9)14)16-12-4-2-1-3-11(12)15/h5-7,11-12,15H,1-4H2/t11-,12-/m1/s1
InChIKeyODGPVXOMJIFRGS-VXGBXAGGSA-N
XLogP3.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
CID 107170051
trans-(1S,2S)-2-(3-fluoro-4-methylphenoxy)cyclohexan-1-ol
CID 107170041
1-chloro-4-(2-ethylcyclohexyl)oxy-2-fluorobenzene
CID 82726671
2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]cycloheptan-1-ol
CID 107720122
2-(3-bromo-4-fluorophenoxy)cyclopentan-1-ol
CID 83234151
(3R,4S)-4-(4-chloro-3-fluorophenoxy)-1-methylpyrrolidin-3-ol
CID 86705583
trans-(1R,2R)-2-(3-fluorophenoxy)cyclohexan-1-ol
CID 102732532
2-(3-chlorophenoxy)cyclohexan-1-ol
CID 60880666
2-(2,4-dichlorophenoxy)cyclohexan-1-ol
CID 60728407
2-[4-(4-chlorophenyl)sulfanylphenoxy]cyclopentan-1-ol
CID 54259316
1-chloro-2-fluoro-4-(4-methylcyclohexyl)oxybenzene
CID 82727193
trans-(1S,2S)-2-(4-bromophenoxy)cyclohexan-1-ol
CID 67195201

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(4-chloro-3-fluorophenoxy)cyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-2-(4-chloro-3-fluorophenoxy)cyclohexan-1-ol (CID 102732681) is trans-(1R,2R)-2-(4-chloro-3-fluorophenoxy)cyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-2-(4-chloro-3-fluorophenoxy)cyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-2-(4-chloro-3-fluorophenoxy)cyclohexan-1-ol is O[C@@H]1CCCC[C@H]1Oc1ccc(Cl)c(F)c1.
What is the InChIKey of trans-(1R,2R)-2-(4-chloro-3-fluorophenoxy)cyclohexan-1-ol?
The InChIKey is ODGPVXOMJIFRGS-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H14ClFO2/c13-9-6-5-8(7-10(9)14)16-12-4-2-1-3-11(12)15/h5-7,11-12,15H,1-4H2/t11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(4-chloro-3-fluorophenoxy)cyclohexan-1-ol?
trans-(1R,2R)-2-(4-chloro-3-fluorophenoxy)cyclohexan-1-ol has a molecular weight of 244.69 g/mol, XLogP of 3.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(4-chloro-3-fluorophenoxy)cyclohexan-1-ol is sourced from PubChem (CID 102732681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).