1-ethyl-4,4-difluoro-1-methoxycyclohexane

C9H16F2O — CID 121407300

IUPAC1-ethyl-4,4-difluoro-1-methoxycyclohexane
SMILESCCC1(OC)CCC(F)(F)CC1
InChIInChI=1S/C9H16F2O/c1-3-8(12-2)4-6-9(10,11)7-5-8/h3-7H2,1-2H3
InChIKeyOCWFIUVMZCPBAX-UHFFFAOYSA-N
MW178.22 g/mol
LogP2.99
Rot. Bonds2

About 1-ethyl-4,4-difluoro-1-methoxycyclohexane

1-ethyl-4,4-difluoro-1-methoxycyclohexane (PubChem CID 121407300) has the molecular formula C9H16F2O and a molecular weight of 178.22 g/mol. Its IUPAC name is 1-ethyl-4,4-difluoro-1-methoxycyclohexane.

Molecular Properties

Compound Name1-ethyl-4,4-difluoro-1-methoxycyclohexane
PubChem CID121407300
Molecular FormulaC9H16F2O
Molecular Weight178.22 g/mol
Exact Mass178.12
IUPAC Name1-ethyl-4,4-difluoro-1-methoxycyclohexane
SMILESCCC1(OC)CCC(F)(F)CC1
InChIInChI=1S/C9H16F2O/c1-3-8(12-2)4-6-9(10,11)7-5-8/h3-7H2,1-2H3
InChIKeyOCWFIUVMZCPBAX-UHFFFAOYSA-N
XLogP2.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.22
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-ethyl-1-methoxycyclohexane
CID 21039859
ethane;3-ethyl-3-methoxy-1-propan-2-ylazetidine
CID 163258834
1,1-difluoro-4-methoxy-4-methylcyclohexane
CID 122579761
1-(4-ethyl-4-methoxypiperidin-1-yl)ethanone
CID 91369104
3-ethyl-3-methoxyazetidine;hydrochloride
CID 66592095
(1-methoxycyclopropyl)methanol
CID 22889103
1-ethoxy-4,4-difluoro-1-prop-2-enylcyclohexane
CID 122552776
1-ethyl-1-propoxycyclopropane
CID 59107418
3-ethyl-3-methoxy-1-methylazepane
CID 24974913
1,3-diethyl-3-methoxypiperidine
CID 153193773
1-methoxy-1-propylcyclobutane
CID 118668756
1-(bromomethyl)-1-methoxycycloheptane
CID 62113509

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4,4-difluoro-1-methoxycyclohexane?
The IUPAC name of 1-ethyl-4,4-difluoro-1-methoxycyclohexane (CID 121407300) is 1-ethyl-4,4-difluoro-1-methoxycyclohexane.
What is the SMILES notation for 1-ethyl-4,4-difluoro-1-methoxycyclohexane?
The canonical SMILES for 1-ethyl-4,4-difluoro-1-methoxycyclohexane is CCC1(OC)CCC(F)(F)CC1.
What is the InChIKey of 1-ethyl-4,4-difluoro-1-methoxycyclohexane?
The InChIKey is OCWFIUVMZCPBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O/c1-3-8(12-2)4-6-9(10,11)7-5-8/h3-7H2,1-2H3.
What are the key properties of 1-ethyl-4,4-difluoro-1-methoxycyclohexane?
1-ethyl-4,4-difluoro-1-methoxycyclohexane has a molecular weight of 178.22 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4,4-difluoro-1-methoxycyclohexane is sourced from PubChem (CID 121407300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).