1-fluoro-2,3-dimethyl-5-propan-2-ylcyclohexane

C11H21F — CID 123418337

IUPAC1-fluoro-2,3-dimethyl-5-propan-2-ylcyclohexane
SMILESCC(C)C1CC(C)C(C)C(F)C1
InChIInChI=1S/C11H21F/c1-7(2)10-5-8(3)9(4)11(12)6-10/h7-11H,5-6H2,1-4H3
InChIKeyQMNVYJKAGLKGQF-UHFFFAOYSA-N
MW172.29 g/mol
LogP3.66
Rot. Bonds1

About 1-fluoro-2,3-dimethyl-5-propan-2-ylcyclohexane

1-fluoro-2,3-dimethyl-5-propan-2-ylcyclohexane (PubChem CID 123418337) has the molecular formula C11H21F and a molecular weight of 172.29 g/mol. Its IUPAC name is 1-fluoro-2,3-dimethyl-5-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-fluoro-2,3-dimethyl-5-propan-2-ylcyclohexane
PubChem CID123418337
Molecular FormulaC11H21F
Molecular Weight172.29 g/mol
Exact Mass172.16
IUPAC Name1-fluoro-2,3-dimethyl-5-propan-2-ylcyclohexane
SMILESCC(C)C1CC(C)C(C)C(F)C1
InChIInChI=1S/C11H21F/c1-7(2)10-5-8(3)9(4)11(12)6-10/h7-11H,5-6H2,1-4H3
InChIKeyQMNVYJKAGLKGQF-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.29
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2,3,4-tetramethyl-6-propan-2-ylcycloheptane
CID 90791175
2-propan-2-yl-2,3,3a,7a-tetrahydro-1H-indene
CID 19746881
trans-(1R,3R)-2-methyl-5-propan-2-ylcyclohexane-1,3-diol
CID 6431599
4,9-di(propan-2-yl)tricyclo[5.3.0.02,6]decane
CID 156686010
4-propan-2-ylcyclopentane-1,2-diol
CID 20608687
3-propan-2-ylbicyclo[3.1.1]heptane
CID 59796479
(2S,6R)-2,6-dimethyl-4-propan-2-ylpiperidine
CID 158604768
3-methyl-2,5,7-tri(propan-2-yl)cycloheptan-1-ol
CID 90951781
1-(3,4-dimethylcyclopentyl)-N-methylethanamine
CID 167190559
cis-(1S,2R)-1-fluoro-2,3-dimethylcyclopentane
CID 126671051
ethanamine;1-methyl-2,3,5-tri(propan-2-yl)cyclohexane
CID 142893702
trans-(1S,4S)-1,2,3,4-tetramethylcyclopentane
CID 58443772

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2,3-dimethyl-5-propan-2-ylcyclohexane?
The IUPAC name of 1-fluoro-2,3-dimethyl-5-propan-2-ylcyclohexane (CID 123418337) is 1-fluoro-2,3-dimethyl-5-propan-2-ylcyclohexane.
What is the SMILES notation for 1-fluoro-2,3-dimethyl-5-propan-2-ylcyclohexane?
The canonical SMILES for 1-fluoro-2,3-dimethyl-5-propan-2-ylcyclohexane is CC(C)C1CC(C)C(C)C(F)C1.
What is the InChIKey of 1-fluoro-2,3-dimethyl-5-propan-2-ylcyclohexane?
The InChIKey is QMNVYJKAGLKGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F/c1-7(2)10-5-8(3)9(4)11(12)6-10/h7-11H,5-6H2,1-4H3.
What are the key properties of 1-fluoro-2,3-dimethyl-5-propan-2-ylcyclohexane?
1-fluoro-2,3-dimethyl-5-propan-2-ylcyclohexane has a molecular weight of 172.29 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2,3-dimethyl-5-propan-2-ylcyclohexane is sourced from PubChem (CID 123418337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).