3,3-difluoro-1-propylcyclopentan-1-ol

C8H14F2O — CID 66602529

IUPAC3,3-difluoro-1-propylcyclopentan-1-ol
SMILESCCCC1(O)CCC(F)(F)C1
InChIInChI=1S/C8H14F2O/c1-2-3-7(11)4-5-8(9,10)6-7/h11H,2-6H2,1H3
InChIKeyAVYGSUVEINQVAE-UHFFFAOYSA-N
MW164.19 g/mol
LogP2.34
Rot. Bonds2

About 3,3-difluoro-1-propylcyclopentan-1-ol

3,3-difluoro-1-propylcyclopentan-1-ol (PubChem CID 66602529) has the molecular formula C8H14F2O and a molecular weight of 164.19 g/mol. Its IUPAC name is 3,3-difluoro-1-propylcyclopentan-1-ol.

Molecular Properties

Compound Name3,3-difluoro-1-propylcyclopentan-1-ol
PubChem CID66602529
Molecular FormulaC8H14F2O
Molecular Weight164.19 g/mol
Exact Mass164.10
IUPAC Name3,3-difluoro-1-propylcyclopentan-1-ol
SMILESCCCC1(O)CCC(F)(F)C1
InChIInChI=1S/C8H14F2O/c1-2-3-7(11)4-5-8(9,10)6-7/h11H,2-6H2,1H3
InChIKeyAVYGSUVEINQVAE-UHFFFAOYSA-N
XLogP2.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.19
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-1-propylcyclopentan-1-ol?
The IUPAC name of 3,3-difluoro-1-propylcyclopentan-1-ol (CID 66602529) is 3,3-difluoro-1-propylcyclopentan-1-ol.
What is the SMILES notation for 3,3-difluoro-1-propylcyclopentan-1-ol?
The canonical SMILES for 3,3-difluoro-1-propylcyclopentan-1-ol is CCCC1(O)CCC(F)(F)C1.
What is the InChIKey of 3,3-difluoro-1-propylcyclopentan-1-ol?
The InChIKey is AVYGSUVEINQVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F2O/c1-2-3-7(11)4-5-8(9,10)6-7/h11H,2-6H2,1H3.
What are the key properties of 3,3-difluoro-1-propylcyclopentan-1-ol?
3,3-difluoro-1-propylcyclopentan-1-ol has a molecular weight of 164.19 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-1-propylcyclopentan-1-ol is sourced from PubChem (CID 66602529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).