(5R)-4-(3-fluoro-2,3-dimethylbutan-2-yl)-1,1,2,5-tetramethylcyclohexane

C16H31F — CID 174179063

IUPAC(5R)-4-(3-fluoro-2,3-dimethylbutan-2-yl)-1,1,2,5-tetramethylcyclohexane
SMILESCC1CC(C(C)(C)C(C)(C)F)[C@H](C)CC1(C)C
InChIInChI=1S/C16H31F/c1-11-10-14(3,4)12(2)9-13(11)15(5,6)16(7,8)17/h11-13H,9-10H2,1-8H3/t11-,12?,13?/m1/s1
InChIKeyOYBFJYXGDULFBY-PNESKVBLSA-N
MW242.42 g/mol
LogP5.47
Rot. Bonds2

About (5R)-4-(3-fluoro-2,3-dimethylbutan-2-yl)-1,1,2,5-tetramethylcyclohexane

(5R)-4-(3-fluoro-2,3-dimethylbutan-2-yl)-1,1,2,5-tetramethylcyclohexane (PubChem CID 174179063) has the molecular formula C16H31F and a molecular weight of 242.42 g/mol. Its IUPAC name is (5R)-4-(3-fluoro-2,3-dimethylbutan-2-yl)-1,1,2,5-tetramethylcyclohexane.

Molecular Properties

Compound Name(5R)-4-(3-fluoro-2,3-dimethylbutan-2-yl)-1,1,2,5-tetramethylcyclohexane
PubChem CID174179063
Molecular FormulaC16H31F
Molecular Weight242.42 g/mol
Exact Mass242.24
IUPAC Name(5R)-4-(3-fluoro-2,3-dimethylbutan-2-yl)-1,1,2,5-tetramethylcyclohexane
SMILESCC1CC(C(C)(C)C(C)(C)F)[C@H](C)CC1(C)C
InChIInChI=1S/C16H31F/c1-11-10-14(3,4)12(2)9-13(11)15(5,6)16(7,8)17/h11-13H,9-10H2,1-8H3/t11-,12?,13?/m1/s1
InChIKeyOYBFJYXGDULFBY-PNESKVBLSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500242.42
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

trans-(2S,4S)-1,1,2,4-tetramethylcyclopentane
CID 6427704
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
1-methyl-2-(trifluoromethyl)cyclopropane
CID 19768867
[(1R,2R,5S)-2,4,4,5-tetramethylcyclohexyl] 2-tert-butyl-4,4-dimethylpentanoate
CID 126587392
4-cyclobutyl-1,1,2-trimethylcyclopentane
CID 148918740
(2R)-1-fluoro-1,2-dimethylcyclopropane
CID 147738297
azane;1,1,2-trimethylcyclopropane;hydrochloride
CID 174915163
1-(2-fluoroethyl)-1,2-dimethylcyclopropane
CID 123694761
1-ethyl-2,2-dimethyl-1-[(2-methylcyclopropyl)methyl]cyclopropane
CID 123234832
3,5-dimethyl-5-(trifluoromethyl)cyclohexene
CID 89133608
3-(3,3-dimethylbutan-2-yl)-1-fluoro-1-methylcyclobutane
CID 170179238
(3S)-3,4,4-trimethylcyclopentene
CID 145186041

Frequently Asked Questions

What is the IUPAC name of (5R)-4-(3-fluoro-2,3-dimethylbutan-2-yl)-1,1,2,5-tetramethylcyclohexane?
The IUPAC name of (5R)-4-(3-fluoro-2,3-dimethylbutan-2-yl)-1,1,2,5-tetramethylcyclohexane (CID 174179063) is (5R)-4-(3-fluoro-2,3-dimethylbutan-2-yl)-1,1,2,5-tetramethylcyclohexane.
What is the SMILES notation for (5R)-4-(3-fluoro-2,3-dimethylbutan-2-yl)-1,1,2,5-tetramethylcyclohexane?
The canonical SMILES for (5R)-4-(3-fluoro-2,3-dimethylbutan-2-yl)-1,1,2,5-tetramethylcyclohexane is CC1CC(C(C)(C)C(C)(C)F)[C@H](C)CC1(C)C.
What is the InChIKey of (5R)-4-(3-fluoro-2,3-dimethylbutan-2-yl)-1,1,2,5-tetramethylcyclohexane?
The InChIKey is OYBFJYXGDULFBY-PNESKVBLSA-N. The full InChI is InChI=1S/C16H31F/c1-11-10-14(3,4)12(2)9-13(11)15(5,6)16(7,8)17/h11-13H,9-10H2,1-8H3/t11-,12?,13?/m1/s1.
What are the key properties of (5R)-4-(3-fluoro-2,3-dimethylbutan-2-yl)-1,1,2,5-tetramethylcyclohexane?
(5R)-4-(3-fluoro-2,3-dimethylbutan-2-yl)-1,1,2,5-tetramethylcyclohexane has a molecular weight of 242.42 g/mol, XLogP of 5.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-(3-fluoro-2,3-dimethylbutan-2-yl)-1,1,2,5-tetramethylcyclohexane is sourced from PubChem (CID 174179063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).