trans-(1R,2R)-4-tert-butyl-2-fluorocyclohexan-1-ol

C10H19FO — CID 130452306

IUPACtrans-(1R,2R)-4-tert-butyl-2-fluorocyclohexan-1-ol
SMILESCC(C)(C)C1CC[C@@H](O)[C@H](F)C1
InChIInChI=1S/C10H19FO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h7-9,12H,4-6H2,1-3H3/t7?,8-,9-/m1/s1
InChIKeyIFEZWVWUOROMDE-CFCGPWAMSA-N
MW174.26 g/mol
LogP2.53
Rot. Bonds

About trans-(1R,2R)-4-tert-butyl-2-fluorocyclohexan-1-ol

trans-(1R,2R)-4-tert-butyl-2-fluorocyclohexan-1-ol (PubChem CID 130452306) has the molecular formula C10H19FO and a molecular weight of 174.26 g/mol. Its IUPAC name is trans-(1R,2R)-4-tert-butyl-2-fluorocyclohexan-1-ol.

Molecular Properties

Compound Nametrans-(1R,2R)-4-tert-butyl-2-fluorocyclohexan-1-ol
PubChem CID130452306
Molecular FormulaC10H19FO
Molecular Weight174.26 g/mol
Exact Mass174.14
IUPAC Nametrans-(1R,2R)-4-tert-butyl-2-fluorocyclohexan-1-ol
SMILESCC(C)(C)C1CC[C@@H](O)[C@H](F)C1
InChIInChI=1S/C10H19FO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h7-9,12H,4-6H2,1-3H3/t7?,8-,9-/m1/s1
InChIKeyIFEZWVWUOROMDE-CFCGPWAMSA-N
XLogP2.53
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.26
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cis-(1R,2S)-4-tert-butylcyclohexane-1,2-diol
CID 59686945
(1R,2R,5R)-5-tert-butyl-2-methylcyclohexan-1-ol
CID 118263170
1,3-ditert-butylcyclopentane;ethane
CID 161179598
4-tert-butyl-2-(3,5-dimethylcyclohexyl)cyclohexan-1-ol
CID 79423962
4-tert-butyl-1-fluoro-2-methylcyclopentane
CID 170179064
2-but-2-enyl-4-tert-butylcyclohexan-1-ol
CID 76919133
4-tert-butyl-2-(2-ethylbutyl)cyclohexan-1-ol
CID 82930226
4-tert-butyl-2-(4-methylazepan-1-yl)cyclohexan-1-ol
CID 63622112
4-tert-butyl-2-[(4-fluorophenyl)methyl]cyclohexan-1-ol
CID 63461998
(1R,2S,5S)-5-tert-butyl-2-deuterio-2-trimethylsilylcyclohexan-1-ol
CID 12632631
4-tert-butyl-2-heptylcyclohexan-1-ol
CID 63462001
4-tert-butyl-2-[2-(dimethylamino)ethyl-methylamino]cyclohexan-1-ol
CID 63700984

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-4-tert-butyl-2-fluorocyclohexan-1-ol?
The IUPAC name of trans-(1R,2R)-4-tert-butyl-2-fluorocyclohexan-1-ol (CID 130452306) is trans-(1R,2R)-4-tert-butyl-2-fluorocyclohexan-1-ol.
What is the SMILES notation for trans-(1R,2R)-4-tert-butyl-2-fluorocyclohexan-1-ol?
The canonical SMILES for trans-(1R,2R)-4-tert-butyl-2-fluorocyclohexan-1-ol is CC(C)(C)C1CC[C@@H](O)[C@H](F)C1.
What is the InChIKey of trans-(1R,2R)-4-tert-butyl-2-fluorocyclohexan-1-ol?
The InChIKey is IFEZWVWUOROMDE-CFCGPWAMSA-N. The full InChI is InChI=1S/C10H19FO/c1-10(2,3)7-4-5-9(12)8(11)6-7/h7-9,12H,4-6H2,1-3H3/t7?,8-,9-/m1/s1.
What are the key properties of trans-(1R,2R)-4-tert-butyl-2-fluorocyclohexan-1-ol?
trans-(1R,2R)-4-tert-butyl-2-fluorocyclohexan-1-ol has a molecular weight of 174.26 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-4-tert-butyl-2-fluorocyclohexan-1-ol is sourced from PubChem (CID 130452306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).