1-ethyl-4-fluoro-1-methoxy-4-methylcycloheptane

C11H21FO — CID 174248083

IUPAC1-ethyl-4-fluoro-1-methoxy-4-methylcycloheptane
SMILESCCC1(OC)CCCC(C)(F)CC1
InChIInChI=1S/C11H21FO/c1-4-11(13-3)7-5-6-10(2,12)8-9-11/h4-9H2,1-3H3
InChIKeyWCIKFQZEGGONNZ-UHFFFAOYSA-N
MW188.29 g/mol
LogP3.47
Rot. Bonds2

About 1-ethyl-4-fluoro-1-methoxy-4-methylcycloheptane

1-ethyl-4-fluoro-1-methoxy-4-methylcycloheptane (PubChem CID 174248083) has the molecular formula C11H21FO and a molecular weight of 188.29 g/mol. Its IUPAC name is 1-ethyl-4-fluoro-1-methoxy-4-methylcycloheptane.

Molecular Properties

Compound Name1-ethyl-4-fluoro-1-methoxy-4-methylcycloheptane
PubChem CID174248083
Molecular FormulaC11H21FO
Molecular Weight188.29 g/mol
Exact Mass188.16
IUPAC Name1-ethyl-4-fluoro-1-methoxy-4-methylcycloheptane
SMILESCCC1(OC)CCCC(C)(F)CC1
InChIInChI=1S/C11H21FO/c1-4-11(13-3)7-5-6-10(2,12)8-9-11/h4-9H2,1-3H3
InChIKeyWCIKFQZEGGONNZ-UHFFFAOYSA-N
XLogP3.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-fluoro-1-methoxy-4-methylcycloheptane?
The IUPAC name of 1-ethyl-4-fluoro-1-methoxy-4-methylcycloheptane (CID 174248083) is 1-ethyl-4-fluoro-1-methoxy-4-methylcycloheptane.
What is the SMILES notation for 1-ethyl-4-fluoro-1-methoxy-4-methylcycloheptane?
The canonical SMILES for 1-ethyl-4-fluoro-1-methoxy-4-methylcycloheptane is CCC1(OC)CCCC(C)(F)CC1.
What is the InChIKey of 1-ethyl-4-fluoro-1-methoxy-4-methylcycloheptane?
The InChIKey is WCIKFQZEGGONNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FO/c1-4-11(13-3)7-5-6-10(2,12)8-9-11/h4-9H2,1-3H3.
What are the key properties of 1-ethyl-4-fluoro-1-methoxy-4-methylcycloheptane?
1-ethyl-4-fluoro-1-methoxy-4-methylcycloheptane has a molecular weight of 188.29 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-fluoro-1-methoxy-4-methylcycloheptane is sourced from PubChem (CID 174248083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).