(2Z,5Z)-3-(difluoromethyl)-4-methylidene-2-[(2R)-pentan-2-yl]oxyhepta-2,5-diene

C14H22F2O — CID 90051411

IUPAC(2Z,5Z)-3-(difluoromethyl)-4-methylidene-2-[(2R)-pentan-2-yl]oxyhepta-2,5-diene
SMILESC=C(/C=C\C)/C(=C(\C)O[C@H](C)CCC)C(F)F
InChIInChI=1S/C14H22F2O/c1-6-8-10(3)13(14(15)16)12(5)17-11(4)9-7-2/h6,8,11,14H,3,7,9H2,1-2,4-5H3/b8-6-,13-12-/t11-/m1/s1
InChIKeyQQFBYEJXCAWDRD-DZARDZFBSA-N
MW244.32 g/mol
LogP4.86
Rot. Bonds7

About (2Z,5Z)-3-(difluoromethyl)-4-methylidene-2-[(2R)-pentan-2-yl]oxyhepta-2,5-diene

(2Z,5Z)-3-(difluoromethyl)-4-methylidene-2-[(2R)-pentan-2-yl]oxyhepta-2,5-diene (PubChem CID 90051411) has the molecular formula C14H22F2O and a molecular weight of 244.32 g/mol. Its IUPAC name is (2Z,5Z)-3-(difluoromethyl)-4-methylidene-2-[(2R)-pentan-2-yl]oxyhepta-2,5-diene.

Molecular Properties

Compound Name(2Z,5Z)-3-(difluoromethyl)-4-methylidene-2-[(2R)-pentan-2-yl]oxyhepta-2,5-diene
PubChem CID90051411
Molecular FormulaC14H22F2O
Molecular Weight244.32 g/mol
Exact Mass244.16
IUPAC Name(2Z,5Z)-3-(difluoromethyl)-4-methylidene-2-[(2R)-pentan-2-yl]oxyhepta-2,5-diene
SMILESC=C(/C=C\C)/C(=C(\C)O[C@H](C)CCC)C(F)F
InChIInChI=1S/C14H22F2O/c1-6-8-10(3)13(14(15)16)12(5)17-11(4)9-7-2/h6,8,11,14H,3,7,9H2,1-2,4-5H3/b8-6-,13-12-/t11-/m1/s1
InChIKeyQQFBYEJXCAWDRD-DZARDZFBSA-N
XLogP4.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.32
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,5Z)-3-(difluoromethyl)-4-methylidene-2-[(2R)-pentan-2-yl]oxyhepta-2,5-diene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z,5Z)-3-(difluoromethyl)-4-methylidene-2-[(2R)-pentan-2-yl]oxyhepta-2,5-diene?
The IUPAC name of (2Z,5Z)-3-(difluoromethyl)-4-methylidene-2-[(2R)-pentan-2-yl]oxyhepta-2,5-diene (CID 90051411) is (2Z,5Z)-3-(difluoromethyl)-4-methylidene-2-[(2R)-pentan-2-yl]oxyhepta-2,5-diene.
What is the SMILES notation for (2Z,5Z)-3-(difluoromethyl)-4-methylidene-2-[(2R)-pentan-2-yl]oxyhepta-2,5-diene?
The canonical SMILES for (2Z,5Z)-3-(difluoromethyl)-4-methylidene-2-[(2R)-pentan-2-yl]oxyhepta-2,5-diene is C=C(/C=C\C)/C(=C(\C)O[C@H](C)CCC)C(F)F.
What is the InChIKey of (2Z,5Z)-3-(difluoromethyl)-4-methylidene-2-[(2R)-pentan-2-yl]oxyhepta-2,5-diene?
The InChIKey is QQFBYEJXCAWDRD-DZARDZFBSA-N. The full InChI is InChI=1S/C14H22F2O/c1-6-8-10(3)13(14(15)16)12(5)17-11(4)9-7-2/h6,8,11,14H,3,7,9H2,1-2,4-5H3/b8-6-,13-12-/t11-/m1/s1.
What are the key properties of (2Z,5Z)-3-(difluoromethyl)-4-methylidene-2-[(2R)-pentan-2-yl]oxyhepta-2,5-diene?
(2Z,5Z)-3-(difluoromethyl)-4-methylidene-2-[(2R)-pentan-2-yl]oxyhepta-2,5-diene has a molecular weight of 244.32 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,5Z)-3-(difluoromethyl)-4-methylidene-2-[(2R)-pentan-2-yl]oxyhepta-2,5-diene is sourced from PubChem (CID 90051411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).