1-(difluoromethoxymethyl)-4-ethylbicyclo[2.2.1]heptane

C11H18F2O — CID 175331863

IUPAC1-(difluoromethoxymethyl)-4-ethylbicyclo[2.2.1]heptane
SMILESCCC12CCC(COC(F)F)(CC1)C2
InChIInChI=1S/C11H18F2O/c1-2-10-3-5-11(7-10,6-4-10)8-14-9(12)13/h9H,2-8H2,1H3
InChIKeyHNQHYRSFAOZSSV-UHFFFAOYSA-N
MW204.26 g/mol
LogP3.59
Rot. Bonds4

About 1-(difluoromethoxymethyl)-4-ethylbicyclo[2.2.1]heptane

1-(difluoromethoxymethyl)-4-ethylbicyclo[2.2.1]heptane (PubChem CID 175331863) has the molecular formula C11H18F2O and a molecular weight of 204.26 g/mol. Its IUPAC name is 1-(difluoromethoxymethyl)-4-ethylbicyclo[2.2.1]heptane.

Molecular Properties

Compound Name1-(difluoromethoxymethyl)-4-ethylbicyclo[2.2.1]heptane
PubChem CID175331863
Molecular FormulaC11H18F2O
Molecular Weight204.26 g/mol
Exact Mass204.13
IUPAC Name1-(difluoromethoxymethyl)-4-ethylbicyclo[2.2.1]heptane
SMILESCCC12CCC(COC(F)F)(CC1)C2
InChIInChI=1S/C11H18F2O/c1-2-10-3-5-11(7-10,6-4-10)8-14-9(12)13/h9H,2-8H2,1H3
InChIKeyHNQHYRSFAOZSSV-UHFFFAOYSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(difluoromethoxymethyl)-3-propan-2-ylbicyclo[1.1.1]pentane
CID 167326750
(4-ethyl-1-bicyclo[2.2.1]heptanyl)methyl 2-methylprop-2-enoate
CID 142040492
[1-(difluoromethoxymethyl)cyclopentyl]methanamine
CID 130194759
4-(difluoromethoxymethyl)thian-4-amine
CID 84720898
1-ethyl-4-propan-2-ylbicyclo[2.1.1]hexane
CID 176984621
1-fluoro-3-(propan-2-yloxymethyl)bicyclo[1.1.1]pentane
CID 172528840
1-ethyl-4-(1-methoxyethenyl)bicyclo[2.2.2]octane
CID 143344494
1-(4-ethyl-1-bicyclo[2.2.1]heptanyl)-2-methylbutan-1-one
CID 142382393
N-[1-(difluoromethoxymethyl)cyclobutyl]formamide
CID 144845240
2-[4-(methoxymethyl)-1-bicyclo[2.2.1]heptanyl]acetaldehyde
CID 169273742
1,3,5-triethyladamantane
CID 21415733
1-ethyl-1-(propan-2-yloxymethyl)cyclopropane
CID 157344699

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethoxymethyl)-4-ethylbicyclo[2.2.1]heptane?
The IUPAC name of 1-(difluoromethoxymethyl)-4-ethylbicyclo[2.2.1]heptane (CID 175331863) is 1-(difluoromethoxymethyl)-4-ethylbicyclo[2.2.1]heptane.
What is the SMILES notation for 1-(difluoromethoxymethyl)-4-ethylbicyclo[2.2.1]heptane?
The canonical SMILES for 1-(difluoromethoxymethyl)-4-ethylbicyclo[2.2.1]heptane is CCC12CCC(COC(F)F)(CC1)C2.
What is the InChIKey of 1-(difluoromethoxymethyl)-4-ethylbicyclo[2.2.1]heptane?
The InChIKey is HNQHYRSFAOZSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2O/c1-2-10-3-5-11(7-10,6-4-10)8-14-9(12)13/h9H,2-8H2,1H3.
What are the key properties of 1-(difluoromethoxymethyl)-4-ethylbicyclo[2.2.1]heptane?
1-(difluoromethoxymethyl)-4-ethylbicyclo[2.2.1]heptane has a molecular weight of 204.26 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxymethyl)-4-ethylbicyclo[2.2.1]heptane is sourced from PubChem (CID 175331863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).