3-(1,1-difluoroethyl)-2-methylpenta-1,3-diene

C8H12F2 — CID 123321601

IUPAC3-(1,1-difluoroethyl)-2-methylpenta-1,3-diene
SMILESC=C(C)C(=CC)C(C)(F)F
InChIInChI=1S/C8H12F2/c1-5-7(6(2)3)8(4,9)10/h5H,2H2,1,3-4H3
InChIKeyYFGNDPOQSZCAKT-UHFFFAOYSA-N
MW146.18 g/mol
LogP3.16
Rot. Bonds2

About 3-(1,1-difluoroethyl)-2-methylpenta-1,3-diene

3-(1,1-difluoroethyl)-2-methylpenta-1,3-diene (PubChem CID 123321601) has the molecular formula C8H12F2 and a molecular weight of 146.18 g/mol. Its IUPAC name is 3-(1,1-difluoroethyl)-2-methylpenta-1,3-diene.

Molecular Properties

Compound Name3-(1,1-difluoroethyl)-2-methylpenta-1,3-diene
PubChem CID123321601
Molecular FormulaC8H12F2
Molecular Weight146.18 g/mol
Exact Mass146.09
IUPAC Name3-(1,1-difluoroethyl)-2-methylpenta-1,3-diene
SMILESC=C(C)C(=CC)C(C)(F)F
InChIInChI=1S/C8H12F2/c1-5-7(6(2)3)8(4,9)10/h5H,2H2,1,3-4H3
InChIKeyYFGNDPOQSZCAKT-UHFFFAOYSA-N
XLogP3.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.18
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4-ethyl-3-ethylidene-2,4-dimethylhex-1-ene
CID 123616269
(1Z)-2-tert-butyl-N,3-dimethylbuta-1,3-dien-1-amine
CID 129132612
(3E)-2,6-dimethyl-5-methylidene-3-(trifluoromethyl)hepta-1,3-diene
CID 145087185
4,4-difluoro-3-methylidenepent-1-ene
CID 134189275
(3Z)-2,4,4-trimethyl-3-(methylsulfanylmethylidene)pent-1-ene
CID 126513851
(E)-2-methylidene-3-(trifluoromethyl)pent-3-enal
CID 143603950
N-[(4E)-6-methyl-5-(trifluoromethyl)hepta-2,4,6-trien-3-yl]acetamide
CID 143763160
(3E)-3-fluoro-2-methylpenta-1,3-diene
CID 13165650
4,4-difluoropent-2-en-3-ol
CID 76589878
2,2-difluoropropane;bis(2-methylpropane);bis(2-methylprop-1-ene)
CID 160802962
2-fluoro-2-methylpropane;bis(2-methylpropane);2-methylprop-1-ene
CID 157176532
(2Z,4E)-7-fluoro-5,7-dimethyl-6-methylidene-4-prop-1-en-2-ylocta-2,4-diene
CID 166995937

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-difluoroethyl)-2-methylpenta-1,3-diene?
The IUPAC name of 3-(1,1-difluoroethyl)-2-methylpenta-1,3-diene (CID 123321601) is 3-(1,1-difluoroethyl)-2-methylpenta-1,3-diene.
What is the SMILES notation for 3-(1,1-difluoroethyl)-2-methylpenta-1,3-diene?
The canonical SMILES for 3-(1,1-difluoroethyl)-2-methylpenta-1,3-diene is C=C(C)C(=CC)C(C)(F)F.
What is the InChIKey of 3-(1,1-difluoroethyl)-2-methylpenta-1,3-diene?
The InChIKey is YFGNDPOQSZCAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F2/c1-5-7(6(2)3)8(4,9)10/h5H,2H2,1,3-4H3.
What are the key properties of 3-(1,1-difluoroethyl)-2-methylpenta-1,3-diene?
3-(1,1-difluoroethyl)-2-methylpenta-1,3-diene has a molecular weight of 146.18 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-difluoroethyl)-2-methylpenta-1,3-diene is sourced from PubChem (CID 123321601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).