trans-(1S,2R)-5,5-difluoro-2-propan-2-ylcyclohexan-1-ol;trans-(1S,2R)-2-propan-2-ylcyclohexan-1-ol

C18H34F2O2 — CID 159846173

IUPACtrans-(1S,2R)-5,5-difluoro-2-propan-2-ylcyclohexan-1-ol;trans-(1S,2R)-2-propan-2-ylcyclohexan-1-ol
SMILESCC(C)[C@H]1CCC(F)(F)C[C@@H]1O.CC(C)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C9H16F2O.C9H18O/c1-6(2)7-3-4-9(10,11)5-8(7)12;1-7(2)8-5-3-4-6-9(8)10/h6-8,12H,3-5H2,1-2H3;7-10H,3-6H2,1-2H3/t7-,8+;8-,9+/m11/s1
InChIKeyNPIGXUMJONIIQH-OOBUHVLISA-N
MW320.46 g/mol
LogP4.63
Rot. Bonds2

About trans-(1S,2R)-5,5-difluoro-2-propan-2-ylcyclohexan-1-ol;trans-(1S,2R)-2-propan-2-ylcyclohexan-1-ol

trans-(1S,2R)-5,5-difluoro-2-propan-2-ylcyclohexan-1-ol;trans-(1S,2R)-2-propan-2-ylcyclohexan-1-ol (PubChem CID 159846173) has the molecular formula C18H34F2O2 and a molecular weight of 320.46 g/mol. Its IUPAC name is trans-(1S,2R)-5,5-difluoro-2-propan-2-ylcyclohexan-1-ol;trans-(1S,2R)-2-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2R)-5,5-difluoro-2-propan-2-ylcyclohexan-1-ol;trans-(1S,2R)-2-propan-2-ylcyclohexan-1-ol
PubChem CID159846173
Molecular FormulaC18H34F2O2
Molecular Weight320.46 g/mol
Exact Mass320.25
IUPAC Nametrans-(1S,2R)-5,5-difluoro-2-propan-2-ylcyclohexan-1-ol;trans-(1S,2R)-2-propan-2-ylcyclohexan-1-ol
SMILESCC(C)[C@H]1CCC(F)(F)C[C@@H]1O.CC(C)[C@H]1CCCC[C@@H]1O
InChIInChI=1S/C9H16F2O.C9H18O/c1-6(2)7-3-4-9(10,11)5-8(7)12;1-7(2)8-5-3-4-6-9(8)10/h6-8,12H,3-5H2,1-2H3;7-10H,3-6H2,1-2H3/t7-,8+;8-,9+/m11/s1
InChIKeyNPIGXUMJONIIQH-OOBUHVLISA-N
XLogP4.63
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.46
LogP ≤ 54.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze trans-(1S,2R)-5,5-difluoro-2-propan-2-ylcyclohexan-1-ol;trans-(1S,2R)-2-propan-2-ylcyclohexan-1-ol with MolForge

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Launch Full Analysis

Related Compounds

(1R)-5,5-dimethyl-2-propan-2-ylcyclohexan-1-ol
CID 134302475
cis-(1R,2R)-2-propan-2-ylcyclobutan-1-ol
CID 153486186
(1R,2S,5R)-5-ethyl-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174625058
5-(chloromethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 22117962
5-ethynyl-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 121006611
(1R,2S,5S)-5-(2-hydroxyethyl)-5-methyl-2-propan-2-ylcyclohexan-1-ol
CID 174920728
(1S,3R,4S)-3-hydroxy-1-methyl-4-propan-2-ylcyclohexane-1-carboxamide
CID 57494678
2-(1-hydroxyethyl)cyclodecan-1-ol
CID 23443021
cis-(1S,2R)-2-amino-5,5-difluorocyclohexan-1-ol;hydrochloride
CID 171316370
[(1R,3S,4R)-3-hydroxy-1-methyl-4-propan-2-ylcyclohexyl] 2,2-dihydroxyacetate
CID 174702395
1-(3-hydroxy-1-methyl-4-propan-2-ylcyclohexyl)ethanone;2-hydroxypropanoic acid
CID 174561950
cis-(1R,2R)-2-ethyl-4,4-difluorocyclohexan-1-ol
CID 121407303

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-5,5-difluoro-2-propan-2-ylcyclohexan-1-ol;trans-(1S,2R)-2-propan-2-ylcyclohexan-1-ol?
The IUPAC name of trans-(1S,2R)-5,5-difluoro-2-propan-2-ylcyclohexan-1-ol;trans-(1S,2R)-2-propan-2-ylcyclohexan-1-ol (CID 159846173) is trans-(1S,2R)-5,5-difluoro-2-propan-2-ylcyclohexan-1-ol;trans-(1S,2R)-2-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for trans-(1S,2R)-5,5-difluoro-2-propan-2-ylcyclohexan-1-ol;trans-(1S,2R)-2-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for trans-(1S,2R)-5,5-difluoro-2-propan-2-ylcyclohexan-1-ol;trans-(1S,2R)-2-propan-2-ylcyclohexan-1-ol is CC(C)[C@H]1CCC(F)(F)C[C@@H]1O.CC(C)[C@H]1CCCC[C@@H]1O.
What is the InChIKey of trans-(1S,2R)-5,5-difluoro-2-propan-2-ylcyclohexan-1-ol;trans-(1S,2R)-2-propan-2-ylcyclohexan-1-ol?
The InChIKey is NPIGXUMJONIIQH-OOBUHVLISA-N. The full InChI is InChI=1S/C9H16F2O.C9H18O/c1-6(2)7-3-4-9(10,11)5-8(7)12;1-7(2)8-5-3-4-6-9(8)10/h6-8,12H,3-5H2,1-2H3;7-10H,3-6H2,1-2H3/t7-,8+;8-,9+/m11/s1.
What are the key properties of trans-(1S,2R)-5,5-difluoro-2-propan-2-ylcyclohexan-1-ol;trans-(1S,2R)-2-propan-2-ylcyclohexan-1-ol?
trans-(1S,2R)-5,5-difluoro-2-propan-2-ylcyclohexan-1-ol;trans-(1S,2R)-2-propan-2-ylcyclohexan-1-ol has a molecular weight of 320.46 g/mol, XLogP of 4.63, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-5,5-difluoro-2-propan-2-ylcyclohexan-1-ol;trans-(1S,2R)-2-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 159846173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).