(E,2R)-8-[(1S,3R)-3-(trifluoromethyl)cyclopentyl]oct-7-en-2-ol

C14H23F3O — CID 143814933

IUPAC(E,2R)-8-[(1S,3R)-3-(trifluoromethyl)cyclopentyl]oct-7-en-2-ol
SMILESC[C@@H](O)CCCC/C=C/[C@H]1CC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C14H23F3O/c1-11(18)6-4-2-3-5-7-12-8-9-13(10-12)14(15,16)17/h5,7,11-13,18H,2-4,6,8-10H2,1H3/b7-5+/t11-,12+,13-/m1/s1
InChIKeyWSCAFKILVBJWFX-DFIPAEPRSA-N
MW264.33 g/mol
LogP4.46
Rot. Bonds6

About (E,2R)-8-[(1S,3R)-3-(trifluoromethyl)cyclopentyl]oct-7-en-2-ol

(E,2R)-8-[(1S,3R)-3-(trifluoromethyl)cyclopentyl]oct-7-en-2-ol (PubChem CID 143814933) has the molecular formula C14H23F3O and a molecular weight of 264.33 g/mol. Its IUPAC name is (E,2R)-8-[(1S,3R)-3-(trifluoromethyl)cyclopentyl]oct-7-en-2-ol.

Molecular Properties

Compound Name(E,2R)-8-[(1S,3R)-3-(trifluoromethyl)cyclopentyl]oct-7-en-2-ol
PubChem CID143814933
Molecular FormulaC14H23F3O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name(E,2R)-8-[(1S,3R)-3-(trifluoromethyl)cyclopentyl]oct-7-en-2-ol
SMILESC[C@@H](O)CCCC/C=C/[C@H]1CC[C@@H](C(F)(F)F)C1
InChIInChI=1S/C14H23F3O/c1-11(18)6-4-2-3-5-7-12-8-9-13(10-12)14(15,16)17/h5,7,11-13,18H,2-4,6,8-10H2,1H3/b7-5+/t11-,12+,13-/m1/s1
InChIKeyWSCAFKILVBJWFX-DFIPAEPRSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E,2R)-8-[(1S,3R)-3-(trifluoromethyl)cyclopentyl]oct-7-en-2-ol?
The IUPAC name of (E,2R)-8-[(1S,3R)-3-(trifluoromethyl)cyclopentyl]oct-7-en-2-ol (CID 143814933) is (E,2R)-8-[(1S,3R)-3-(trifluoromethyl)cyclopentyl]oct-7-en-2-ol.
What is the SMILES notation for (E,2R)-8-[(1S,3R)-3-(trifluoromethyl)cyclopentyl]oct-7-en-2-ol?
The canonical SMILES for (E,2R)-8-[(1S,3R)-3-(trifluoromethyl)cyclopentyl]oct-7-en-2-ol is C[C@@H](O)CCCC/C=C/[C@H]1CC[C@@H](C(F)(F)F)C1.
What is the InChIKey of (E,2R)-8-[(1S,3R)-3-(trifluoromethyl)cyclopentyl]oct-7-en-2-ol?
The InChIKey is WSCAFKILVBJWFX-DFIPAEPRSA-N. The full InChI is InChI=1S/C14H23F3O/c1-11(18)6-4-2-3-5-7-12-8-9-13(10-12)14(15,16)17/h5,7,11-13,18H,2-4,6,8-10H2,1H3/b7-5+/t11-,12+,13-/m1/s1.
What are the key properties of (E,2R)-8-[(1S,3R)-3-(trifluoromethyl)cyclopentyl]oct-7-en-2-ol?
(E,2R)-8-[(1S,3R)-3-(trifluoromethyl)cyclopentyl]oct-7-en-2-ol has a molecular weight of 264.33 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-8-[(1S,3R)-3-(trifluoromethyl)cyclopentyl]oct-7-en-2-ol is sourced from PubChem (CID 143814933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).