2,2-difluoroethyl 4-(4-propylphenyl)cyclohexane-1-carboxylate

C18H24F2O2 — CID 18659034

IUPAC2,2-difluoroethyl 4-(4-propylphenyl)cyclohexane-1-carboxylate
SMILESCCCc1ccc(C2CCC(C(=O)OCC(F)F)CC2)cc1
InChIInChI=1S/C18H24F2O2/c1-2-3-13-4-6-14(7-5-13)15-8-10-16(11-9-15)18(21)22-12-17(19)20/h4-7,15-17H,2-3,8-12H2,1H3
InChIKeyKIDRKZZVLBMFEF-UHFFFAOYSA-N
MW310.38 g/mol
LogP4.72
Rot. Bonds6

About 2,2-difluoroethyl 4-(4-propylphenyl)cyclohexane-1-carboxylate

2,2-difluoroethyl 4-(4-propylphenyl)cyclohexane-1-carboxylate (PubChem CID 18659034) has the molecular formula C18H24F2O2 and a molecular weight of 310.38 g/mol. Its IUPAC name is 2,2-difluoroethyl 4-(4-propylphenyl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Name2,2-difluoroethyl 4-(4-propylphenyl)cyclohexane-1-carboxylate
PubChem CID18659034
Molecular FormulaC18H24F2O2
Molecular Weight310.38 g/mol
Exact Mass310.17
IUPAC Name2,2-difluoroethyl 4-(4-propylphenyl)cyclohexane-1-carboxylate
SMILESCCCc1ccc(C2CCC(C(=O)OCC(F)F)CC2)cc1
InChIInChI=1S/C18H24F2O2/c1-2-3-13-4-6-14(7-5-13)15-8-10-16(11-9-15)18(21)22-12-17(19)20/h4-7,15-17H,2-3,8-12H2,1H3
InChIKeyKIDRKZZVLBMFEF-UHFFFAOYSA-N
XLogP4.72
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 54.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-difluoroethyl 4-(4-pentoxyphenyl)cyclohexane-1-carboxylate
CID 18659031
2,2-difluoroethyl 4-(4-octoxyphenyl)cyclohexane-1-carboxylate
CID 18659029
fluorosulfanyl 4-(4-butylphenyl)cyclohexane-1-carboxylate;pentahydrofluoride
CID 173376010
3-(4-propylphenyl)cyclopentane-1-carbonyl chloride
CID 154308321
ethane;ethyl 4-[4-(methylaminomethyl)phenyl]cyclohexane-1-carboxylate
CID 142495341
1-ethyl-4-[4-(4-propylphenyl)cyclohexyl]benzene
CID 140788276
4-(4-propylphenyl)cyclohexane-1-carbaldehyde
CID 86668457
4-(4-propylphenyl)piperidine-1-carboxylic acid
CID 90967974
(4-sulfanylphenyl) 4-(4-heptylphenyl)cyclohexane-1-carboxylate
CID 173376127
ethyl 4-phenylcyclohexane-1-carboxylate
CID 15047124
1-(4-pent-2-en-2-ylcyclohexyl)-4-propylbenzene
CID 56985726
methyl 4-[2-[4-(4-pentylphenyl)cyclohexyl]ethenyl]cyclohexane-1-carboxylate
CID 54439992

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoroethyl 4-(4-propylphenyl)cyclohexane-1-carboxylate?
The IUPAC name of 2,2-difluoroethyl 4-(4-propylphenyl)cyclohexane-1-carboxylate (CID 18659034) is 2,2-difluoroethyl 4-(4-propylphenyl)cyclohexane-1-carboxylate.
What is the SMILES notation for 2,2-difluoroethyl 4-(4-propylphenyl)cyclohexane-1-carboxylate?
The canonical SMILES for 2,2-difluoroethyl 4-(4-propylphenyl)cyclohexane-1-carboxylate is CCCc1ccc(C2CCC(C(=O)OCC(F)F)CC2)cc1.
What is the InChIKey of 2,2-difluoroethyl 4-(4-propylphenyl)cyclohexane-1-carboxylate?
The InChIKey is KIDRKZZVLBMFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F2O2/c1-2-3-13-4-6-14(7-5-13)15-8-10-16(11-9-15)18(21)22-12-17(19)20/h4-7,15-17H,2-3,8-12H2,1H3.
What are the key properties of 2,2-difluoroethyl 4-(4-propylphenyl)cyclohexane-1-carboxylate?
2,2-difluoroethyl 4-(4-propylphenyl)cyclohexane-1-carboxylate has a molecular weight of 310.38 g/mol, XLogP of 4.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoroethyl 4-(4-propylphenyl)cyclohexane-1-carboxylate is sourced from PubChem (CID 18659034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).