(3R,4R,5E)-2-fluoro-3-(2-phenylethyl)deca-1,5-dien-4-ol

C18H25FO — CID 134863101

IUPAC(3R,4R,5E)-2-fluoro-3-(2-phenylethyl)deca-1,5-dien-4-ol
SMILESC=C(F)C(CCc1ccccc1)[C@H](O)/C=C/CCCC
InChIInChI=1S/C18H25FO/c1-3-4-5-9-12-18(20)17(15(2)19)14-13-16-10-7-6-8-11-16/h6-12,17-18,20H,2-5,13-14H2,1H3/b12-9+/t17?,18-/m1/s1
InChIKeyWVBQKRCHNHLZBR-XZRALTFJSA-N
MW276.39 g/mol
LogP4.83
Rot. Bonds9

About (3R,4R,5E)-2-fluoro-3-(2-phenylethyl)deca-1,5-dien-4-ol

(3R,4R,5E)-2-fluoro-3-(2-phenylethyl)deca-1,5-dien-4-ol (PubChem CID 134863101) has the molecular formula C18H25FO and a molecular weight of 276.39 g/mol. Its IUPAC name is (3R,4R,5E)-2-fluoro-3-(2-phenylethyl)deca-1,5-dien-4-ol.

Molecular Properties

Compound Name(3R,4R,5E)-2-fluoro-3-(2-phenylethyl)deca-1,5-dien-4-ol
PubChem CID134863101
Molecular FormulaC18H25FO
Molecular Weight276.39 g/mol
Exact Mass276.19
IUPAC Name(3R,4R,5E)-2-fluoro-3-(2-phenylethyl)deca-1,5-dien-4-ol
SMILESC=C(F)C(CCc1ccccc1)[C@H](O)/C=C/CCCC
InChIInChI=1S/C18H25FO/c1-3-4-5-9-12-18(20)17(15(2)19)14-13-16-10-7-6-8-11-16/h6-12,17-18,20H,2-5,13-14H2,1H3/b12-9+/t17?,18-/m1/s1
InChIKeyWVBQKRCHNHLZBR-XZRALTFJSA-N
XLogP4.83
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.39
LogP ≤ 54.83
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 (3R,4R,5E)-2-fluoro-3-(2-phenylethyl)deca-1,5-dien-4-ol?
The IUPAC name of (3R,4R,5E)-2-fluoro-3-(2-phenylethyl)deca-1,5-dien-4-ol (CID 134863101) is (3R,4R,5E)-2-fluoro-3-(2-phenylethyl)deca-1,5-dien-4-ol.
What is the SMILES notation for (3R,4R,5E)-2-fluoro-3-(2-phenylethyl)deca-1,5-dien-4-ol?
The canonical SMILES for (3R,4R,5E)-2-fluoro-3-(2-phenylethyl)deca-1,5-dien-4-ol is C=C(F)C(CCc1ccccc1)[C@H](O)/C=C/CCCC.
What is the InChIKey of (3R,4R,5E)-2-fluoro-3-(2-phenylethyl)deca-1,5-dien-4-ol?
The InChIKey is WVBQKRCHNHLZBR-XZRALTFJSA-N. The full InChI is InChI=1S/C18H25FO/c1-3-4-5-9-12-18(20)17(15(2)19)14-13-16-10-7-6-8-11-16/h6-12,17-18,20H,2-5,13-14H2,1H3/b12-9+/t17?,18-/m1/s1.
What are the key properties of (3R,4R,5E)-2-fluoro-3-(2-phenylethyl)deca-1,5-dien-4-ol?
(3R,4R,5E)-2-fluoro-3-(2-phenylethyl)deca-1,5-dien-4-ol has a molecular weight of 276.39 g/mol, XLogP of 4.83, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5E)-2-fluoro-3-(2-phenylethyl)deca-1,5-dien-4-ol is sourced from PubChem (CID 134863101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).