trans-(2R,4S)-1,1-difluoro-2-methyl-4-(2-methylpropyl)cyclohexane

C11H20F2 — CID 121406270

IUPACtrans-(2R,4S)-1,1-difluoro-2-methyl-4-(2-methylpropyl)cyclohexane
SMILESCC(C)C[C@@H]1CCC(F)(F)[C@H](C)C1
InChIInChI=1S/C11H20F2/c1-8(2)6-10-4-5-11(12,13)9(3)7-10/h8-10H,4-7H2,1-3H3/t9-,10+/m1/s1
InChIKeyIATOIGRINAXTHU-ZJUUUORDSA-N
MW190.28 g/mol
LogP4.10
Rot. Bonds2

About trans-(2R,4S)-1,1-difluoro-2-methyl-4-(2-methylpropyl)cyclohexane

trans-(2R,4S)-1,1-difluoro-2-methyl-4-(2-methylpropyl)cyclohexane (PubChem CID 121406270) has the molecular formula C11H20F2 and a molecular weight of 190.28 g/mol. Its IUPAC name is trans-(2R,4S)-1,1-difluoro-2-methyl-4-(2-methylpropyl)cyclohexane.

Molecular Properties

Compound Nametrans-(2R,4S)-1,1-difluoro-2-methyl-4-(2-methylpropyl)cyclohexane
PubChem CID121406270
Molecular FormulaC11H20F2
Molecular Weight190.28 g/mol
Exact Mass190.15
IUPAC Nametrans-(2R,4S)-1,1-difluoro-2-methyl-4-(2-methylpropyl)cyclohexane
SMILESCC(C)C[C@@H]1CCC(F)(F)[C@H](C)C1
InChIInChI=1S/C11H20F2/c1-8(2)6-10-4-5-11(12,13)9(3)7-10/h8-10H,4-7H2,1-3H3/t9-,10+/m1/s1
InChIKeyIATOIGRINAXTHU-ZJUUUORDSA-N
XLogP4.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.28
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

[(1R,3R)-4,4-difluoro-3-methylcyclohexyl]methanamine
CID 125470811
[(1S,3R)-4,4-difluoro-3-methylcyclohexyl]methanamine
CID 125470812
(1S)-1-methyl-3-(2-methylpropyl)cyclohexane
CID 140722932
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
ethane;7-(2-methylpropyl)-2-azaspiro[3.5]nonane
CID 177021220
6,10-dimethyl-8-(2-methylpropyl)-1,4-dioxaspiro[4.5]decane
CID 155379076
N-[(4,4-difluorocyclohexyl)methyl]-4-(2-methylpropyl)cyclohexan-1-amine
CID 177148483
1,1-di(cyclobutyl)-4-(2-methylpropyl)cyclohexane
CID 139971599
[3-(2-methylpropyl)cyclopentyl]methanol
CID 90809607
2-methyl-7-(2-methylpropyl)-2-azaspiro[3.5]nonane
CID 176651901
1-(2-methylpropyl)-3-propylcyclopentane
CID 14325896
4,4-difluoro-3-methylcyclohexane-1-carboxamide
CID 118559743

Frequently Asked Questions

What is the IUPAC name of trans-(2R,4S)-1,1-difluoro-2-methyl-4-(2-methylpropyl)cyclohexane?
The IUPAC name of trans-(2R,4S)-1,1-difluoro-2-methyl-4-(2-methylpropyl)cyclohexane (CID 121406270) is trans-(2R,4S)-1,1-difluoro-2-methyl-4-(2-methylpropyl)cyclohexane.
What is the SMILES notation for trans-(2R,4S)-1,1-difluoro-2-methyl-4-(2-methylpropyl)cyclohexane?
The canonical SMILES for trans-(2R,4S)-1,1-difluoro-2-methyl-4-(2-methylpropyl)cyclohexane is CC(C)C[C@@H]1CCC(F)(F)[C@H](C)C1.
What is the InChIKey of trans-(2R,4S)-1,1-difluoro-2-methyl-4-(2-methylpropyl)cyclohexane?
The InChIKey is IATOIGRINAXTHU-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H20F2/c1-8(2)6-10-4-5-11(12,13)9(3)7-10/h8-10H,4-7H2,1-3H3/t9-,10+/m1/s1.
What are the key properties of trans-(2R,4S)-1,1-difluoro-2-methyl-4-(2-methylpropyl)cyclohexane?
trans-(2R,4S)-1,1-difluoro-2-methyl-4-(2-methylpropyl)cyclohexane has a molecular weight of 190.28 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2R,4S)-1,1-difluoro-2-methyl-4-(2-methylpropyl)cyclohexane is sourced from PubChem (CID 121406270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).