(3,3-difluorocyclobutyl)-(4-methylcyclohexyl)methanone

C12H18F2O — CID 118883086

IUPAC(3,3-difluorocyclobutyl)-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)C2CC(F)(F)C2)CC1
InChIInChI=1S/C12H18F2O/c1-8-2-4-9(5-3-8)11(15)10-6-12(13,14)7-10/h8-10H,2-7H2,1H3
InChIKeyPVZJNPGNGJLQAG-UHFFFAOYSA-N
MW216.27 g/mol
LogP3.43
Rot. Bonds2

About (3,3-difluorocyclobutyl)-(4-methylcyclohexyl)methanone

(3,3-difluorocyclobutyl)-(4-methylcyclohexyl)methanone (PubChem CID 118883086) has the molecular formula C12H18F2O and a molecular weight of 216.27 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-(4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-(4-methylcyclohexyl)methanone
PubChem CID118883086
Molecular FormulaC12H18F2O
Molecular Weight216.27 g/mol
Exact Mass216.13
IUPAC Name(3,3-difluorocyclobutyl)-(4-methylcyclohexyl)methanone
SMILESCC1CCC(C(=O)C2CC(F)(F)C2)CC1
InChIInChI=1S/C12H18F2O/c1-8-2-4-9(5-3-8)11(15)10-6-12(13,14)7-10/h8-10H,2-7H2,1H3
InChIKeyPVZJNPGNGJLQAG-UHFFFAOYSA-N
XLogP3.43
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-methylcyclohexyl)-[4-[2-(4-methylcyclohexyl)ethyl]cyclohexyl]methanone
CID 59938817
1-(3,3-difluorocyclobutyl)-2-methylpropan-1-one
CID 58812212
[4-[4-[4-(4-methoxycyclohexanecarbonyl)cyclohexanecarbonyl]cyclohexyl]oxycyclohexyl]-(4-methylcyclohexyl)methanone
CID 123136286
cycloheptyl-(3-methylcyclopentyl)methanone
CID 82931083
3,3-difluorocyclobutane-1-carbonyl chloride
CID 83855003
CID 173230624
CID 173230624
(4-methylcyclohexyl)-(2-methylcyclopentyl)methanone
CID 107187037
[4-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylcyclohexyl)propan-2-yl]cyclohexyl]oxycyclohexyl]-(4-methylcyclohexyl)methanone
CID 140502494
N,4-dimethylcyclohexane-1-carboxamide;ethane;methanamine
CID 145422265
1-[(3,3-difluorocyclobutyl)methyl]-4-methylcyclohexane
CID 130469055
bis(3,3,4-trimethylcyclohexyl)methanone
CID 59950968
indium(3+);tris(4-methylcyclohexane-1-carboxylate)
CID 22604168

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-(4-methylcyclohexyl)methanone?
The IUPAC name of (3,3-difluorocyclobutyl)-(4-methylcyclohexyl)methanone (CID 118883086) is (3,3-difluorocyclobutyl)-(4-methylcyclohexyl)methanone.
What is the SMILES notation for (3,3-difluorocyclobutyl)-(4-methylcyclohexyl)methanone?
The canonical SMILES for (3,3-difluorocyclobutyl)-(4-methylcyclohexyl)methanone is CC1CCC(C(=O)C2CC(F)(F)C2)CC1.
What is the InChIKey of (3,3-difluorocyclobutyl)-(4-methylcyclohexyl)methanone?
The InChIKey is PVZJNPGNGJLQAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2O/c1-8-2-4-9(5-3-8)11(15)10-6-12(13,14)7-10/h8-10H,2-7H2,1H3.
What are the key properties of (3,3-difluorocyclobutyl)-(4-methylcyclohexyl)methanone?
(3,3-difluorocyclobutyl)-(4-methylcyclohexyl)methanone has a molecular weight of 216.27 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)-(4-methylcyclohexyl)methanone is sourced from PubChem (CID 118883086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).