(3,3-difluoro-2-prop-2-enoxypent-4-enoxy)methylbenzene

C15H18F2O2 — CID 10978456

IUPAC(3,3-difluoro-2-prop-2-enoxypent-4-enoxy)methylbenzene
SMILESC=CCOC(COCc1ccccc1)C(F)(F)C=C
InChIInChI=1S/C15H18F2O2/c1-3-10-19-14(15(16,17)4-2)12-18-11-13-8-6-5-7-9-13/h3-9,14H,1-2,10-12H2
InChIKeyGJDXNNVMCGGVIW-UHFFFAOYSA-N
MW268.30 g/mol
LogP3.60
Rot. Bonds9

About (3,3-difluoro-2-prop-2-enoxypent-4-enoxy)methylbenzene

(3,3-difluoro-2-prop-2-enoxypent-4-enoxy)methylbenzene (PubChem CID 10978456) has the molecular formula C15H18F2O2 and a molecular weight of 268.30 g/mol. Its IUPAC name is (3,3-difluoro-2-prop-2-enoxypent-4-enoxy)methylbenzene.

Molecular Properties

Compound Name(3,3-difluoro-2-prop-2-enoxypent-4-enoxy)methylbenzene
PubChem CID10978456
Molecular FormulaC15H18F2O2
Molecular Weight268.30 g/mol
Exact Mass268.13
IUPAC Name(3,3-difluoro-2-prop-2-enoxypent-4-enoxy)methylbenzene
SMILESC=CCOC(COCc1ccccc1)C(F)(F)C=C
InChIInChI=1S/C15H18F2O2/c1-3-10-19-14(15(16,17)4-2)12-18-11-13-8-6-5-7-9-13/h3-9,14H,1-2,10-12H2
InChIKeyGJDXNNVMCGGVIW-UHFFFAOYSA-N
XLogP3.60
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.30
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-trifluoropent-4-en-2-yloxymethylbenzene
CID 175434069
[(2S)-2-fluoropent-4-enoxy]methylbenzene
CID 166140557
2,2-difluorobut-3-enoxymethylbenzene
CID 170548757
tert-butyl N-(3,3-difluoro-1-phenylmethoxypent-4-en-2-yl)carbamate
CID 171548047
(2S)-2-(phenylmethoxymethyl)but-3-en-1-ol
CID 124630520
2,3-difluoropropoxymethylbenzene
CID 86233522
[(2R,3S)-4,4-dimethyl-2,3-bis(phenylmethoxy)hex-5-enoxy]methylbenzene
CID 165415773
3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-dien-3-yloxymethylbenzene
CID 10611241
prop-2-enyl 2-hydroxy-3-phenylmethoxypropanoate
CID 67804121
[(Z)-4-prop-2-enoxybut-2-enoxy]methylbenzene
CID 11053131
ethane;2-[(2R)-1-phenylmethoxypent-4-en-2-yl]oxyacetaldehyde
CID 144540878
(2R)-1-phenylmethoxy-3-(prop-2-enylamino)propan-2-ol
CID 118006903

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoro-2-prop-2-enoxypent-4-enoxy)methylbenzene?
The IUPAC name of (3,3-difluoro-2-prop-2-enoxypent-4-enoxy)methylbenzene (CID 10978456) is (3,3-difluoro-2-prop-2-enoxypent-4-enoxy)methylbenzene.
What is the SMILES notation for (3,3-difluoro-2-prop-2-enoxypent-4-enoxy)methylbenzene?
The canonical SMILES for (3,3-difluoro-2-prop-2-enoxypent-4-enoxy)methylbenzene is C=CCOC(COCc1ccccc1)C(F)(F)C=C.
What is the InChIKey of (3,3-difluoro-2-prop-2-enoxypent-4-enoxy)methylbenzene?
The InChIKey is GJDXNNVMCGGVIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2O2/c1-3-10-19-14(15(16,17)4-2)12-18-11-13-8-6-5-7-9-13/h3-9,14H,1-2,10-12H2.
What are the key properties of (3,3-difluoro-2-prop-2-enoxypent-4-enoxy)methylbenzene?
(3,3-difluoro-2-prop-2-enoxypent-4-enoxy)methylbenzene has a molecular weight of 268.30 g/mol, XLogP of 3.60, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoro-2-prop-2-enoxypent-4-enoxy)methylbenzene is sourced from PubChem (CID 10978456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).