4-ethyl-1,1-difluorocycloheptane;molecular hydrogen

C9H18F2 — CID 178021496

IUPAC4-ethyl-1,1-difluorocycloheptane;molecular hydrogen
SMILESCCC1CCCC(F)(F)CC1.[H][H]
InChIInChI=1S/C9H16F2.H2/c1-2-8-4-3-6-9(10,11)7-5-8;/h8H,2-7H2,1H3;1H
InChIKeyFVUROMKBFMWVAR-UHFFFAOYSA-N
MW164.24 g/mol
LogP3.86
Rot. Bonds1

About 4-ethyl-1,1-difluorocycloheptane;molecular hydrogen

4-ethyl-1,1-difluorocycloheptane;molecular hydrogen (PubChem CID 178021496) has the molecular formula C9H18F2 and a molecular weight of 164.24 g/mol. Its IUPAC name is 4-ethyl-1,1-difluorocycloheptane;molecular hydrogen.

Molecular Properties

Compound Name4-ethyl-1,1-difluorocycloheptane;molecular hydrogen
PubChem CID178021496
Molecular FormulaC9H18F2
Molecular Weight164.24 g/mol
Exact Mass164.14
IUPAC Name4-ethyl-1,1-difluorocycloheptane;molecular hydrogen
SMILESCCC1CCCC(F)(F)CC1.[H][H]
InChIInChI=1S/C9H16F2.H2/c1-2-8-4-3-6-9(10,11)7-5-8;/h8H,2-7H2,1H3;1H
InChIKeyFVUROMKBFMWVAR-UHFFFAOYSA-N
XLogP3.86
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.24
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;bis(ethylcyclopentane)
CID 158911237
4-ethyl-1-(4-ethylcyclohexyl)cycloheptan-1-ol
CID 65085835
4-ethyl-1-propan-2-ylcycloheptan-1-ol
CID 65085832
1-cycloheptyl-4-ethylcycloheptan-1-ol
CID 82929121
2-(3,3-difluorocyclohexyl)-1-(4-ethylcyclohexyl)ethanone
CID 114224600
ethylcyclooctane;fluoromethane
CID 174962953
ethane;ethene;ethylcyclobutane
CID 164586585
(4,4-difluorocyclohexyl)methanol;ethane
CID 162726117
ethylcyclopentane;methane
CID 143390575
tris(ethylcyclopentane);gadolinium
CID 160752471
cyclobutane;cycloheptane;cyclooctane;cyclopentane;ethylcyclohexane
CID 159227929
chromium;bis(ethylcyclopentane)
CID 91996240

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,1-difluorocycloheptane;molecular hydrogen?
The IUPAC name of 4-ethyl-1,1-difluorocycloheptane;molecular hydrogen (CID 178021496) is 4-ethyl-1,1-difluorocycloheptane;molecular hydrogen.
What is the SMILES notation for 4-ethyl-1,1-difluorocycloheptane;molecular hydrogen?
The canonical SMILES for 4-ethyl-1,1-difluorocycloheptane;molecular hydrogen is CCC1CCCC(F)(F)CC1.[H][H].
What is the InChIKey of 4-ethyl-1,1-difluorocycloheptane;molecular hydrogen?
The InChIKey is FVUROMKBFMWVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2.H2/c1-2-8-4-3-6-9(10,11)7-5-8;/h8H,2-7H2,1H3;1H.
What are the key properties of 4-ethyl-1,1-difluorocycloheptane;molecular hydrogen?
4-ethyl-1,1-difluorocycloheptane;molecular hydrogen has a molecular weight of 164.24 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,1-difluorocycloheptane;molecular hydrogen is sourced from PubChem (CID 178021496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).