4-ethyl-2-fluoro-1-propoxycyclohexane

C11H21FO — CID 123334576

IUPAC4-ethyl-2-fluoro-1-propoxycyclohexane
SMILESCCCOC1CCC(CC)CC1F
InChIInChI=1S/C11H21FO/c1-3-7-13-11-6-5-9(4-2)8-10(11)12/h9-11H,3-8H2,1-2H3
InChIKeyVRGZYLHBRMQRBY-UHFFFAOYSA-N
MW188.29 g/mol
LogP3.33
Rot. Bonds4

About 4-ethyl-2-fluoro-1-propoxycyclohexane

4-ethyl-2-fluoro-1-propoxycyclohexane (PubChem CID 123334576) has the molecular formula C11H21FO and a molecular weight of 188.29 g/mol. Its IUPAC name is 4-ethyl-2-fluoro-1-propoxycyclohexane.

Molecular Properties

Compound Name4-ethyl-2-fluoro-1-propoxycyclohexane
PubChem CID123334576
Molecular FormulaC11H21FO
Molecular Weight188.29 g/mol
Exact Mass188.16
IUPAC Name4-ethyl-2-fluoro-1-propoxycyclohexane
SMILESCCCOC1CCC(CC)CC1F
InChIInChI=1S/C11H21FO/c1-3-7-13-11-6-5-9(4-2)8-10(11)12/h9-11H,3-8H2,1-2H3
InChIKeyVRGZYLHBRMQRBY-UHFFFAOYSA-N
XLogP3.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-fluoro-1-propoxycyclohexane?
The IUPAC name of 4-ethyl-2-fluoro-1-propoxycyclohexane (CID 123334576) is 4-ethyl-2-fluoro-1-propoxycyclohexane.
What is the SMILES notation for 4-ethyl-2-fluoro-1-propoxycyclohexane?
The canonical SMILES for 4-ethyl-2-fluoro-1-propoxycyclohexane is CCCOC1CCC(CC)CC1F.
What is the InChIKey of 4-ethyl-2-fluoro-1-propoxycyclohexane?
The InChIKey is VRGZYLHBRMQRBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FO/c1-3-7-13-11-6-5-9(4-2)8-10(11)12/h9-11H,3-8H2,1-2H3.
What are the key properties of 4-ethyl-2-fluoro-1-propoxycyclohexane?
4-ethyl-2-fluoro-1-propoxycyclohexane has a molecular weight of 188.29 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-fluoro-1-propoxycyclohexane is sourced from PubChem (CID 123334576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).