(4,4-difluoro-3,3-dimethylpentyl) cyclohexanecarboxylate

C14H24F2O2 — CID 118696020

IUPAC(4,4-difluoro-3,3-dimethylpentyl) cyclohexanecarboxylate
SMILESCC(F)(F)C(C)(C)CCOC(=O)C1CCCCC1
InChIInChI=1S/C14H24F2O2/c1-13(2,14(3,15)16)9-10-18-12(17)11-7-5-4-6-8-11/h11H,4-10H2,1-3H3
InChIKeyRJIIMRRJTFEAPD-UHFFFAOYSA-N
MW262.34 g/mol
LogP4.18
Rot. Bonds5

About (4,4-difluoro-3,3-dimethylpentyl) cyclohexanecarboxylate

(4,4-difluoro-3,3-dimethylpentyl) cyclohexanecarboxylate (PubChem CID 118696020) has the molecular formula C14H24F2O2 and a molecular weight of 262.34 g/mol. Its IUPAC name is (4,4-difluoro-3,3-dimethylpentyl) cyclohexanecarboxylate.

Molecular Properties

Compound Name(4,4-difluoro-3,3-dimethylpentyl) cyclohexanecarboxylate
PubChem CID118696020
Molecular FormulaC14H24F2O2
Molecular Weight262.34 g/mol
Exact Mass262.17
IUPAC Name(4,4-difluoro-3,3-dimethylpentyl) cyclohexanecarboxylate
SMILESCC(F)(F)C(C)(C)CCOC(=O)C1CCCCC1
InChIInChI=1S/C14H24F2O2/c1-13(2,14(3,15)16)9-10-18-12(17)11-7-5-4-6-8-11/h11H,4-10H2,1-3H3
InChIKeyRJIIMRRJTFEAPD-UHFFFAOYSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(aminodisulfanyl)-3,4,4-trifluoro-3-methylbutyl] cyclohexanecarboxylate
CID 144560325
2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl cycloheptanecarboxylate
CID 68733385
[2-methyl-2-(3,3,3-trifluoropropoxycarbonyl)butyl] cyclohexanecarboxylate
CID 121403018
2-fluoroethyl cyclobutanecarboxylate
CID 45090053
5-[4-(cyclohexanecarbonyloxy)-2-methylbutan-2-yl]oxy-1,1,2,2-tetrafluoropentane-1-sulfonic acid
CID 176875263
2-(2,2,2-trifluoroethylamino)ethyl cycloheptanecarboxylate
CID 67966979
2-aminoethyl cyclohexanecarboxylate;hydrochloride
CID 67519694
2-(cycloheptanecarbonyloxy)ethyl-(trifluoromethylsulfanyl)azanide
CID 162451101
2-[bis[2-(cyclohexanecarbonyloxy)ethyl]amino]ethyl cyclohexanecarboxylate
CID 59203981
2-propoxyethyl cyclohexanecarboxylate
CID 66700127
(3-amino-2,2-difluoropropyl) cyclohexanecarboxylate
CID 157087017
3,3-difluorobutan-2-yl cyclohexanecarboxylate
CID 67967114

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoro-3,3-dimethylpentyl) cyclohexanecarboxylate?
The IUPAC name of (4,4-difluoro-3,3-dimethylpentyl) cyclohexanecarboxylate (CID 118696020) is (4,4-difluoro-3,3-dimethylpentyl) cyclohexanecarboxylate.
What is the SMILES notation for (4,4-difluoro-3,3-dimethylpentyl) cyclohexanecarboxylate?
The canonical SMILES for (4,4-difluoro-3,3-dimethylpentyl) cyclohexanecarboxylate is CC(F)(F)C(C)(C)CCOC(=O)C1CCCCC1.
What is the InChIKey of (4,4-difluoro-3,3-dimethylpentyl) cyclohexanecarboxylate?
The InChIKey is RJIIMRRJTFEAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2O2/c1-13(2,14(3,15)16)9-10-18-12(17)11-7-5-4-6-8-11/h11H,4-10H2,1-3H3.
What are the key properties of (4,4-difluoro-3,3-dimethylpentyl) cyclohexanecarboxylate?
(4,4-difluoro-3,3-dimethylpentyl) cyclohexanecarboxylate has a molecular weight of 262.34 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoro-3,3-dimethylpentyl) cyclohexanecarboxylate is sourced from PubChem (CID 118696020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).