[(1R,2R)-4,4-difluoro-2-(phenylmethoxymethyl)cyclohexyl]methanol

C15H20F2O2 — CID 25130204

IUPAC[(1R,2R)-4,4-difluoro-2-(phenylmethoxymethyl)cyclohexyl]methanol
SMILESOC[C@@H]1CCC(F)(F)C[C@H]1COCc1ccccc1
InChIInChI=1S/C15H20F2O2/c16-15(17)7-6-13(9-18)14(8-15)11-19-10-12-4-2-1-3-5-12/h1-5,13-14,18H,6-11H2/t13-,14-/m0/s1
InChIKeyNCSAFGVYHBTQQE-KBPBESRZSA-N
MW270.32 g/mol
LogP3.25
Rot. Bonds5

About [(1R,2R)-4,4-difluoro-2-(phenylmethoxymethyl)cyclohexyl]methanol

[(1R,2R)-4,4-difluoro-2-(phenylmethoxymethyl)cyclohexyl]methanol (PubChem CID 25130204) has the molecular formula C15H20F2O2 and a molecular weight of 270.32 g/mol. Its IUPAC name is [(1R,2R)-4,4-difluoro-2-(phenylmethoxymethyl)cyclohexyl]methanol.

Molecular Properties

Compound Name[(1R,2R)-4,4-difluoro-2-(phenylmethoxymethyl)cyclohexyl]methanol
PubChem CID25130204
Molecular FormulaC15H20F2O2
Molecular Weight270.32 g/mol
Exact Mass270.14
IUPAC Name[(1R,2R)-4,4-difluoro-2-(phenylmethoxymethyl)cyclohexyl]methanol
SMILESOC[C@@H]1CCC(F)(F)C[C@H]1COCc1ccccc1
InChIInChI=1S/C15H20F2O2/c16-15(17)7-6-13(9-18)14(8-15)11-19-10-12-4-2-1-3-5-12/h1-5,13-14,18H,6-11H2/t13-,14-/m0/s1
InChIKeyNCSAFGVYHBTQQE-KBPBESRZSA-N
XLogP3.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(7R,8R)-7-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]methanol
CID 25130205
[(1S,2R)-2-[(E)-2-[(1R,2S)-2-(phenylmethoxymethyl)cyclopropyl]ethenyl]cyclopropyl]methanol
CID 100952584
2-fluoro-3-(phenylmethoxymethyl)cyclobutan-1-ol
CID 57425831
[4-(phenylmethoxymethyl)cyclohexyl]methoxymethylbenzene
CID 100982245
[(1S,2S)-2-methyl-4,4-bis(phenylmethoxymethyl)cyclopentyl]methanol
CID 15473516
ethyl 3-[4,4-difluoro-2-(phenylmethoxymethyl)cyclohexyl]-3-hydroxy-2-(4-methylsulfanylphenyl)propanoate
CID 67099268
trans-(1R,2S)-2-(phenylmethoxymethyl)cyclopropane-1-carboxylic acid
CID 86340040
[4-(phenylmethoxymethyl)-1,3-dioxan-2-yl]methanol
CID 23452412
[3,3-diethoxy-1-fluoro-2-(phenylmethoxymethyl)cyclobutyl]methanol
CID 67878928
benzyl N-[(1S,2S)-5,5-difluoro-2-hydroxycyclohexyl]carbamate
CID 169260932
(3aS,4S,6aS)-4-(phenylmethoxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]furan
CID 10513766
potassium trifluoro-[(1R,2R)-2-(phenylmethoxymethyl)cyclopropyl]boranuide
CID 135036909

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-4,4-difluoro-2-(phenylmethoxymethyl)cyclohexyl]methanol?
The IUPAC name of [(1R,2R)-4,4-difluoro-2-(phenylmethoxymethyl)cyclohexyl]methanol (CID 25130204) is [(1R,2R)-4,4-difluoro-2-(phenylmethoxymethyl)cyclohexyl]methanol.
What is the SMILES notation for [(1R,2R)-4,4-difluoro-2-(phenylmethoxymethyl)cyclohexyl]methanol?
The canonical SMILES for [(1R,2R)-4,4-difluoro-2-(phenylmethoxymethyl)cyclohexyl]methanol is OC[C@@H]1CCC(F)(F)C[C@H]1COCc1ccccc1.
What is the InChIKey of [(1R,2R)-4,4-difluoro-2-(phenylmethoxymethyl)cyclohexyl]methanol?
The InChIKey is NCSAFGVYHBTQQE-KBPBESRZSA-N. The full InChI is InChI=1S/C15H20F2O2/c16-15(17)7-6-13(9-18)14(8-15)11-19-10-12-4-2-1-3-5-12/h1-5,13-14,18H,6-11H2/t13-,14-/m0/s1.
What are the key properties of [(1R,2R)-4,4-difluoro-2-(phenylmethoxymethyl)cyclohexyl]methanol?
[(1R,2R)-4,4-difluoro-2-(phenylmethoxymethyl)cyclohexyl]methanol has a molecular weight of 270.32 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-4,4-difluoro-2-(phenylmethoxymethyl)cyclohexyl]methanol is sourced from PubChem (CID 25130204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).