(E)-3,3-difluoro-1-(2-methylidenecyclopentyl)oct-1-en-4-ol

C14H22F2O — CID 143807318

IUPAC(E)-3,3-difluoro-1-(2-methylidenecyclopentyl)oct-1-en-4-ol
SMILESC=C1CCCC1/C=C/C(F)(F)C(O)CCCC
InChIInChI=1S/C14H22F2O/c1-3-4-8-13(17)14(15,16)10-9-12-7-5-6-11(12)2/h9-10,12-13,17H,2-8H2,1H3/b10-9+
InChIKeySNPGUPZKHDMBJH-MDZDMXLPSA-N
MW244.32 g/mol
LogP4.09
Rot. Bonds6

About (E)-3,3-difluoro-1-(2-methylidenecyclopentyl)oct-1-en-4-ol

(E)-3,3-difluoro-1-(2-methylidenecyclopentyl)oct-1-en-4-ol (PubChem CID 143807318) has the molecular formula C14H22F2O and a molecular weight of 244.32 g/mol. Its IUPAC name is (E)-3,3-difluoro-1-(2-methylidenecyclopentyl)oct-1-en-4-ol.

Molecular Properties

Compound Name(E)-3,3-difluoro-1-(2-methylidenecyclopentyl)oct-1-en-4-ol
PubChem CID143807318
Molecular FormulaC14H22F2O
Molecular Weight244.32 g/mol
Exact Mass244.16
IUPAC Name(E)-3,3-difluoro-1-(2-methylidenecyclopentyl)oct-1-en-4-ol
SMILESC=C1CCCC1/C=C/C(F)(F)C(O)CCCC
InChIInChI=1S/C14H22F2O/c1-3-4-8-13(17)14(15,16)10-9-12-7-5-6-11(12)2/h9-10,12-13,17H,2-8H2,1H3/b10-9+
InChIKeySNPGUPZKHDMBJH-MDZDMXLPSA-N
XLogP4.09
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3,3-difluoro-1-(2-methylidenecyclopentyl)oct-1-en-4-ol?
The IUPAC name of (E)-3,3-difluoro-1-(2-methylidenecyclopentyl)oct-1-en-4-ol (CID 143807318) is (E)-3,3-difluoro-1-(2-methylidenecyclopentyl)oct-1-en-4-ol.
What is the SMILES notation for (E)-3,3-difluoro-1-(2-methylidenecyclopentyl)oct-1-en-4-ol?
The canonical SMILES for (E)-3,3-difluoro-1-(2-methylidenecyclopentyl)oct-1-en-4-ol is C=C1CCCC1/C=C/C(F)(F)C(O)CCCC.
What is the InChIKey of (E)-3,3-difluoro-1-(2-methylidenecyclopentyl)oct-1-en-4-ol?
The InChIKey is SNPGUPZKHDMBJH-MDZDMXLPSA-N. The full InChI is InChI=1S/C14H22F2O/c1-3-4-8-13(17)14(15,16)10-9-12-7-5-6-11(12)2/h9-10,12-13,17H,2-8H2,1H3/b10-9+.
What are the key properties of (E)-3,3-difluoro-1-(2-methylidenecyclopentyl)oct-1-en-4-ol?
(E)-3,3-difluoro-1-(2-methylidenecyclopentyl)oct-1-en-4-ol has a molecular weight of 244.32 g/mol, XLogP of 4.09, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3,3-difluoro-1-(2-methylidenecyclopentyl)oct-1-en-4-ol is sourced from PubChem (CID 143807318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).