(1S,2S,3R)-2-cyclobutyl-1-fluoro-3-methylcyclohexane

C11H19F — CID 134386503

IUPAC(1S,2S,3R)-2-cyclobutyl-1-fluoro-3-methylcyclohexane
SMILESC[C@@H]1CCC[C@H](F)[C@@H]1C1CCC1
InChIInChI=1S/C11H19F/c1-8-4-2-7-10(12)11(8)9-5-3-6-9/h8-11H,2-7H2,1H3/t8-,10+,11+/m1/s1
InChIKeyFIHZRFRBLJMZSQ-MIMYLULJSA-N
MW170.27 g/mol
LogP3.56
Rot. Bonds1

About (1S,2S,3R)-2-cyclobutyl-1-fluoro-3-methylcyclohexane

(1S,2S,3R)-2-cyclobutyl-1-fluoro-3-methylcyclohexane (PubChem CID 134386503) has the molecular formula C11H19F and a molecular weight of 170.27 g/mol. Its IUPAC name is (1S,2S,3R)-2-cyclobutyl-1-fluoro-3-methylcyclohexane.

Molecular Properties

Compound Name(1S,2S,3R)-2-cyclobutyl-1-fluoro-3-methylcyclohexane
PubChem CID134386503
Molecular FormulaC11H19F
Molecular Weight170.27 g/mol
Exact Mass170.15
IUPAC Name(1S,2S,3R)-2-cyclobutyl-1-fluoro-3-methylcyclohexane
SMILESC[C@@H]1CCC[C@H](F)[C@@H]1C1CCC1
InChIInChI=1S/C11H19F/c1-8-4-2-7-10(12)11(8)9-5-3-6-9/h8-11H,2-7H2,1H3/t8-,10+,11+/m1/s1
InChIKeyFIHZRFRBLJMZSQ-MIMYLULJSA-N
XLogP3.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.27
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(1S,2R,3R)-1-fluoro-2,3-dimethylcyclohexane
CID 155257148
ethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 90824446
1-cyclobutyl-4-fluoro-2,5-dimethylcyclohexane
CID 155058601
(1R)-1,3-difluoro-2-methylcyclohexane
CID 134531645
ethane;1,2,8-trimethyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;1,2,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,6,7-trimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;bis(1,2,6-trimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene)
CID 157279018
(6R)-1,6-dimethyl-1,2,3,3a,4,5,6,6a-octahydropentalene
CID 147576937
CID 134889664
CID 134889664
2-cyclopropyl-1,3-dimethylcyclopentane
CID 154518239
(2,4-dimethylcyclobutyl)cyclopentane
CID 76591276
ethane;trans-(1R,2R)-1,2-dimethylcyclopentane
CID 91129712
(8aS)-1,2,3,3a,4,5,5a,6,7,8,8a,9,10,10a,10b,10c-hexadecahydropyrene
CID 143216402
tetracyclo[6.5.2.04,15.011,14]pentadecane
CID 91584207

Frequently Asked Questions

What is the IUPAC name of (1S,2S,3R)-2-cyclobutyl-1-fluoro-3-methylcyclohexane?
The IUPAC name of (1S,2S,3R)-2-cyclobutyl-1-fluoro-3-methylcyclohexane (CID 134386503) is (1S,2S,3R)-2-cyclobutyl-1-fluoro-3-methylcyclohexane.
What is the SMILES notation for (1S,2S,3R)-2-cyclobutyl-1-fluoro-3-methylcyclohexane?
The canonical SMILES for (1S,2S,3R)-2-cyclobutyl-1-fluoro-3-methylcyclohexane is C[C@@H]1CCC[C@H](F)[C@@H]1C1CCC1.
What is the InChIKey of (1S,2S,3R)-2-cyclobutyl-1-fluoro-3-methylcyclohexane?
The InChIKey is FIHZRFRBLJMZSQ-MIMYLULJSA-N. The full InChI is InChI=1S/C11H19F/c1-8-4-2-7-10(12)11(8)9-5-3-6-9/h8-11H,2-7H2,1H3/t8-,10+,11+/m1/s1.
What are the key properties of (1S,2S,3R)-2-cyclobutyl-1-fluoro-3-methylcyclohexane?
(1S,2S,3R)-2-cyclobutyl-1-fluoro-3-methylcyclohexane has a molecular weight of 170.27 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3R)-2-cyclobutyl-1-fluoro-3-methylcyclohexane is sourced from PubChem (CID 134386503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).