1-[(4-butylcyclohexyl)methoxy]-2,4-difluorobenzene

C17H24F2O — CID 67806514

IUPAC1-[(4-butylcyclohexyl)methoxy]-2,4-difluorobenzene
SMILESCCCCC1CCC(COc2ccc(F)cc2F)CC1
InChIInChI=1S/C17H24F2O/c1-2-3-4-13-5-7-14(8-6-13)12-20-17-10-9-15(18)11-16(17)19/h9-11,13-14H,2-8,12H2,1H3
InChIKeyIZDVIHAWISQVIW-UHFFFAOYSA-N
MW282.37 g/mol
LogP5.34
Rot. Bonds6

About 1-[(4-butylcyclohexyl)methoxy]-2,4-difluorobenzene

1-[(4-butylcyclohexyl)methoxy]-2,4-difluorobenzene (PubChem CID 67806514) has the molecular formula C17H24F2O and a molecular weight of 282.37 g/mol. Its IUPAC name is 1-[(4-butylcyclohexyl)methoxy]-2,4-difluorobenzene.

Molecular Properties

Compound Name1-[(4-butylcyclohexyl)methoxy]-2,4-difluorobenzene
PubChem CID67806514
Molecular FormulaC17H24F2O
Molecular Weight282.37 g/mol
Exact Mass282.18
IUPAC Name1-[(4-butylcyclohexyl)methoxy]-2,4-difluorobenzene
SMILESCCCCC1CCC(COc2ccc(F)cc2F)CC1
InChIInChI=1S/C17H24F2O/c1-2-3-4-13-5-7-14(8-6-13)12-20-17-10-9-15(18)11-16(17)19/h9-11,13-14H,2-8,12H2,1H3
InChIKeyIZDVIHAWISQVIW-UHFFFAOYSA-N
XLogP5.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.37
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,2,4-trifluoro-5-[(4-pentylcyclohexyl)methoxy]benzene
CID 15250368
2-fluoro-1-[(4-pentylcyclohexyl)methoxy]-4-[2-(4-pentylphenyl)ethyl]benzene
CID 19008189
1-[(4-butylcyclohexyl)methoxy]-4-fluorobenzene
CID 173416825
1-butoxy-4-(4-butylcyclohexyl)-2-fluorobenzene
CID 57074379
1-[2-(4-butylcyclohexyl)ethyl]-2,4-difluorobenzene
CID 18610847
2,3-difluoro-1-hexoxy-4-[(4-pentylcyclohexyl)methoxy]benzene
CID 19103474
1-(cyclopropylmethoxy)-2-fluoro-4-(2-methylpentan-2-yl)benzene
CID 146353183
2-(cyclopropylmethoxy)-4-fluoro-1-methylbenzene;propane
CID 162532018
2,3-difluoro-1-methoxy-4-[[4-(4-pentylcyclohexyl)cyclohexyl]methoxy]benzene
CID 19792983
ethane;1-ethoxy-2,4-difluorobenzene
CID 142043713
2-butyl-6-[(4-ethoxy-2,3-difluorophenoxy)methyl]-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 67967195
1-(4-butylcyclohexyl)-4-ethoxy-2,5-difluorobenzene
CID 19103605

Frequently Asked Questions

What is the IUPAC name of 1-[(4-butylcyclohexyl)methoxy]-2,4-difluorobenzene?
The IUPAC name of 1-[(4-butylcyclohexyl)methoxy]-2,4-difluorobenzene (CID 67806514) is 1-[(4-butylcyclohexyl)methoxy]-2,4-difluorobenzene.
What is the SMILES notation for 1-[(4-butylcyclohexyl)methoxy]-2,4-difluorobenzene?
The canonical SMILES for 1-[(4-butylcyclohexyl)methoxy]-2,4-difluorobenzene is CCCCC1CCC(COc2ccc(F)cc2F)CC1.
What is the InChIKey of 1-[(4-butylcyclohexyl)methoxy]-2,4-difluorobenzene?
The InChIKey is IZDVIHAWISQVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2O/c1-2-3-4-13-5-7-14(8-6-13)12-20-17-10-9-15(18)11-16(17)19/h9-11,13-14H,2-8,12H2,1H3.
What are the key properties of 1-[(4-butylcyclohexyl)methoxy]-2,4-difluorobenzene?
1-[(4-butylcyclohexyl)methoxy]-2,4-difluorobenzene has a molecular weight of 282.37 g/mol, XLogP of 5.34, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-butylcyclohexyl)methoxy]-2,4-difluorobenzene is sourced from PubChem (CID 67806514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).