1-[(4,4-difluorocyclohexyl)methoxy]-2-ethylbenzene

C15H20F2O — CID 166839557

IUPAC1-[(4,4-difluorocyclohexyl)methoxy]-2-ethylbenzene
SMILESCCc1ccccc1OCC1CCC(F)(F)CC1
InChIInChI=1S/C15H20F2O/c1-2-13-5-3-4-6-14(13)18-11-12-7-9-15(16,17)10-8-12/h3-6,12H,2,7-11H2,1H3
InChIKeyUGKITPGMLSTFBN-UHFFFAOYSA-N
MW254.32 g/mol
LogP4.45
Rot. Bonds4

About 1-[(4,4-difluorocyclohexyl)methoxy]-2-ethylbenzene

1-[(4,4-difluorocyclohexyl)methoxy]-2-ethylbenzene (PubChem CID 166839557) has the molecular formula C15H20F2O and a molecular weight of 254.32 g/mol. Its IUPAC name is 1-[(4,4-difluorocyclohexyl)methoxy]-2-ethylbenzene.

Molecular Properties

Compound Name1-[(4,4-difluorocyclohexyl)methoxy]-2-ethylbenzene
PubChem CID166839557
Molecular FormulaC15H20F2O
Molecular Weight254.32 g/mol
Exact Mass254.15
IUPAC Name1-[(4,4-difluorocyclohexyl)methoxy]-2-ethylbenzene
SMILESCCc1ccccc1OCC1CCC(F)(F)CC1
InChIInChI=1S/C15H20F2O/c1-2-13-5-3-4-6-14(13)18-11-12-7-9-15(16,17)10-8-12/h3-6,12H,2,7-11H2,1H3
InChIKeyUGKITPGMLSTFBN-UHFFFAOYSA-N
XLogP4.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.32
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 13362254
1-[(3,3-difluorocyclopentyl)methoxy]-2-fluoro-3-methylbenzene
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CID 170716854
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CID 58083532
2-[2-(cyclohexylmethoxy)phenyl]acetic acid
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1-[2-(cyclopropylmethoxy)phenyl]-N-methoxymethanamine
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1-[4-(4,4-difluorocyclohexyl)-3-methylbutyl]-2-[(2-fluorophenyl)methoxy]benzene
CID 159673721
N-[[5-[(2-ethylphenoxy)methyl]oxolan-2-yl]methyl]propan-2-amine
CID 62486972

Frequently Asked Questions

What is the IUPAC name of 1-[(4,4-difluorocyclohexyl)methoxy]-2-ethylbenzene?
The IUPAC name of 1-[(4,4-difluorocyclohexyl)methoxy]-2-ethylbenzene (CID 166839557) is 1-[(4,4-difluorocyclohexyl)methoxy]-2-ethylbenzene.
What is the SMILES notation for 1-[(4,4-difluorocyclohexyl)methoxy]-2-ethylbenzene?
The canonical SMILES for 1-[(4,4-difluorocyclohexyl)methoxy]-2-ethylbenzene is CCc1ccccc1OCC1CCC(F)(F)CC1.
What is the InChIKey of 1-[(4,4-difluorocyclohexyl)methoxy]-2-ethylbenzene?
The InChIKey is UGKITPGMLSTFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2O/c1-2-13-5-3-4-6-14(13)18-11-12-7-9-15(16,17)10-8-12/h3-6,12H,2,7-11H2,1H3.
What are the key properties of 1-[(4,4-difluorocyclohexyl)methoxy]-2-ethylbenzene?
1-[(4,4-difluorocyclohexyl)methoxy]-2-ethylbenzene has a molecular weight of 254.32 g/mol, XLogP of 4.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4-difluorocyclohexyl)methoxy]-2-ethylbenzene is sourced from PubChem (CID 166839557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).