(E,2R)-1-cyclohexyl-1,1-difluoropent-3-en-2-ol

C11H18F2O — CID 59065321

IUPAC(E,2R)-1-cyclohexyl-1,1-difluoropent-3-en-2-ol
SMILESC/C=C/[C@@H](O)C(F)(F)C1CCCCC1
InChIInChI=1S/C11H18F2O/c1-2-6-10(14)11(12,13)9-7-4-3-5-8-9/h2,6,9-10,14H,3-5,7-8H2,1H3/b6-2+/t10-/m1/s1
InChIKeyAWXMZIMEHGSRNP-GCEAOBNSSA-N
MW204.26 g/mol
LogP3.14
Rot. Bonds3

About (E,2R)-1-cyclohexyl-1,1-difluoropent-3-en-2-ol

(E,2R)-1-cyclohexyl-1,1-difluoropent-3-en-2-ol (PubChem CID 59065321) has the molecular formula C11H18F2O and a molecular weight of 204.26 g/mol. Its IUPAC name is (E,2R)-1-cyclohexyl-1,1-difluoropent-3-en-2-ol.

Molecular Properties

Compound Name(E,2R)-1-cyclohexyl-1,1-difluoropent-3-en-2-ol
PubChem CID59065321
Molecular FormulaC11H18F2O
Molecular Weight204.26 g/mol
Exact Mass204.13
IUPAC Name(E,2R)-1-cyclohexyl-1,1-difluoropent-3-en-2-ol
SMILESC/C=C/[C@@H](O)C(F)(F)C1CCCCC1
InChIInChI=1S/C11H18F2O/c1-2-6-10(14)11(12,13)9-7-4-3-5-8-9/h2,6,9-10,14H,3-5,7-8H2,1H3/b6-2+/t10-/m1/s1
InChIKeyAWXMZIMEHGSRNP-GCEAOBNSSA-N
XLogP3.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.26
LogP ≤ 53.14
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,2R)-1-cyclohexyl-1,1-difluoropent-3-en-2-ol?
The IUPAC name of (E,2R)-1-cyclohexyl-1,1-difluoropent-3-en-2-ol (CID 59065321) is (E,2R)-1-cyclohexyl-1,1-difluoropent-3-en-2-ol.
What is the SMILES notation for (E,2R)-1-cyclohexyl-1,1-difluoropent-3-en-2-ol?
The canonical SMILES for (E,2R)-1-cyclohexyl-1,1-difluoropent-3-en-2-ol is C/C=C/[C@@H](O)C(F)(F)C1CCCCC1.
What is the InChIKey of (E,2R)-1-cyclohexyl-1,1-difluoropent-3-en-2-ol?
The InChIKey is AWXMZIMEHGSRNP-GCEAOBNSSA-N. The full InChI is InChI=1S/C11H18F2O/c1-2-6-10(14)11(12,13)9-7-4-3-5-8-9/h2,6,9-10,14H,3-5,7-8H2,1H3/b6-2+/t10-/m1/s1.
What are the key properties of (E,2R)-1-cyclohexyl-1,1-difluoropent-3-en-2-ol?
(E,2R)-1-cyclohexyl-1,1-difluoropent-3-en-2-ol has a molecular weight of 204.26 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-1-cyclohexyl-1,1-difluoropent-3-en-2-ol is sourced from PubChem (CID 59065321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).