1-ethyl-3,3-difluorocyclopentan-1-ol

C7H12F2O — CID 66602420

IUPAC1-ethyl-3,3-difluorocyclopentan-1-ol
SMILESCCC1(O)CCC(F)(F)C1
InChIInChI=1S/C7H12F2O/c1-2-6(10)3-4-7(8,9)5-6/h10H,2-5H2,1H3
InChIKeyHYUFBGQSFSYUEM-UHFFFAOYSA-N
MW150.17 g/mol
LogP1.95
Rot. Bonds1

About 1-ethyl-3,3-difluorocyclopentan-1-ol

1-ethyl-3,3-difluorocyclopentan-1-ol (PubChem CID 66602420) has the molecular formula C7H12F2O and a molecular weight of 150.17 g/mol. Its IUPAC name is 1-ethyl-3,3-difluorocyclopentan-1-ol.

Molecular Properties

Compound Name1-ethyl-3,3-difluorocyclopentan-1-ol
PubChem CID66602420
Molecular FormulaC7H12F2O
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name1-ethyl-3,3-difluorocyclopentan-1-ol
SMILESCCC1(O)CCC(F)(F)C1
InChIInChI=1S/C7H12F2O/c1-2-6(10)3-4-7(8,9)5-6/h10H,2-5H2,1H3
InChIKeyHYUFBGQSFSYUEM-UHFFFAOYSA-N
XLogP1.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3,3-difluorocyclopentan-1-ol?
The IUPAC name of 1-ethyl-3,3-difluorocyclopentan-1-ol (CID 66602420) is 1-ethyl-3,3-difluorocyclopentan-1-ol.
What is the SMILES notation for 1-ethyl-3,3-difluorocyclopentan-1-ol?
The canonical SMILES for 1-ethyl-3,3-difluorocyclopentan-1-ol is CCC1(O)CCC(F)(F)C1.
What is the InChIKey of 1-ethyl-3,3-difluorocyclopentan-1-ol?
The InChIKey is HYUFBGQSFSYUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O/c1-2-6(10)3-4-7(8,9)5-6/h10H,2-5H2,1H3.
What are the key properties of 1-ethyl-3,3-difluorocyclopentan-1-ol?
1-ethyl-3,3-difluorocyclopentan-1-ol has a molecular weight of 150.17 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3,3-difluorocyclopentan-1-ol is sourced from PubChem (CID 66602420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).