4-cyclopropyl-2-fluoro-1-(methoxymethyl)benzene;ethane

C15H25FO — CID 168922268

IUPAC4-cyclopropyl-2-fluoro-1-(methoxymethyl)benzene;ethane
SMILESCC.CC.COCc1ccc(C2CC2)cc1F
InChIInChI=1S/C11H13FO.2C2H6/c1-13-7-10-5-4-9(6-11(10)12)8-2-3-8;2*1-2/h4-6,8H,2-3,7H2,1H3;2*1-2H3
InChIKeyYYIGYIOYFUGLNV-UHFFFAOYSA-N
MW240.36 g/mol
LogP4.90
Rot. Bonds3

About 4-cyclopropyl-2-fluoro-1-(methoxymethyl)benzene;ethane

4-cyclopropyl-2-fluoro-1-(methoxymethyl)benzene;ethane (PubChem CID 168922268) has the molecular formula C15H25FO and a molecular weight of 240.36 g/mol. Its IUPAC name is 4-cyclopropyl-2-fluoro-1-(methoxymethyl)benzene;ethane.

Molecular Properties

Compound Name4-cyclopropyl-2-fluoro-1-(methoxymethyl)benzene;ethane
PubChem CID168922268
Molecular FormulaC15H25FO
Molecular Weight240.36 g/mol
Exact Mass240.19
IUPAC Name4-cyclopropyl-2-fluoro-1-(methoxymethyl)benzene;ethane
SMILESCC.CC.COCc1ccc(C2CC2)cc1F
InChIInChI=1S/C11H13FO.2C2H6/c1-13-7-10-5-4-9(6-11(10)12)8-2-3-8;2*1-2/h4-6,8H,2-3,7H2,1H3;2*1-2H3
InChIKeyYYIGYIOYFUGLNV-UHFFFAOYSA-N
XLogP4.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.36
LogP ≤ 54.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

5-butyl-2-[4-[3-fluoro-4-(methoxymethyl)phenyl]cyclohexyl]-1,3-dioxane
CID 67571085
4-cyclopropyl-2-(methoxymethyl)-1-methylbenzene
CID 58134240
N-[(4-cyclopropyl-2-fluorophenyl)methyl]propan-2-amine
CID 62490162
2-(4-cyclopropyl-2-fluorophenyl)ethane-1,1-diol
CID 129135375
4-cyclopropyl-2-fluoro-1-methylbenzene;ethane
CID 177038852
1-[[4-[4-(ethoxymethyl)-3-fluorophenyl]cyclohexyl]oxymethyl]-2,3-difluoro-4-methylbenzene
CID 58141585
1,2-difluoro-4-(4-methoxycyclohexyl)benzene
CID 144809444
4-[3-methoxy-4-(methoxymethyl)phenyl]piperidine
CID 117343039
2-fluoro-1-[2-[2-[2-fluoro-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]phenyl]ethoxy]ethyl]-4-[4-[2-(4-propylcyclohexyl)ethyl]cyclohexyl]benzene
CID 140976227
1-ethyl-2-fluoro-4-[4-(4-propylcyclohexyl)cyclohexyl]benzene
CID 14693031
5-[4-(2,3-difluoro-4-propylphenyl)-3-fluorophenyl]-2-(methoxymethyl)oxane
CID 126764958
4-cyclohexyl-2-fluoro-1-pentylbenzene
CID 59931429

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-fluoro-1-(methoxymethyl)benzene;ethane?
The IUPAC name of 4-cyclopropyl-2-fluoro-1-(methoxymethyl)benzene;ethane (CID 168922268) is 4-cyclopropyl-2-fluoro-1-(methoxymethyl)benzene;ethane.
What is the SMILES notation for 4-cyclopropyl-2-fluoro-1-(methoxymethyl)benzene;ethane?
The canonical SMILES for 4-cyclopropyl-2-fluoro-1-(methoxymethyl)benzene;ethane is CC.CC.COCc1ccc(C2CC2)cc1F.
What is the InChIKey of 4-cyclopropyl-2-fluoro-1-(methoxymethyl)benzene;ethane?
The InChIKey is YYIGYIOYFUGLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO.2C2H6/c1-13-7-10-5-4-9(6-11(10)12)8-2-3-8;2*1-2/h4-6,8H,2-3,7H2,1H3;2*1-2H3.
What are the key properties of 4-cyclopropyl-2-fluoro-1-(methoxymethyl)benzene;ethane?
4-cyclopropyl-2-fluoro-1-(methoxymethyl)benzene;ethane has a molecular weight of 240.36 g/mol, XLogP of 4.90, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-fluoro-1-(methoxymethyl)benzene;ethane is sourced from PubChem (CID 168922268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).