3-fluoro-3-(fluoromethyl)-6-methyl-5-methylidenehept-1-ene

C10H16F2 — CID 143909189

IUPAC3-fluoro-3-(fluoromethyl)-6-methyl-5-methylidenehept-1-ene
SMILESC=CC(F)(CF)CC(=C)C(C)C
InChIInChI=1S/C10H16F2/c1-5-10(12,7-11)6-9(4)8(2)3/h5,8H,1,4,6-7H2,2-3H3
InChIKeyXAJNCMGQQIRDQV-UHFFFAOYSA-N
MW174.23 g/mol
LogP3.45
Rot. Bonds5

About 3-fluoro-3-(fluoromethyl)-6-methyl-5-methylidenehept-1-ene

3-fluoro-3-(fluoromethyl)-6-methyl-5-methylidenehept-1-ene (PubChem CID 143909189) has the molecular formula C10H16F2 and a molecular weight of 174.23 g/mol. Its IUPAC name is 3-fluoro-3-(fluoromethyl)-6-methyl-5-methylidenehept-1-ene.

Molecular Properties

Compound Name3-fluoro-3-(fluoromethyl)-6-methyl-5-methylidenehept-1-ene
PubChem CID143909189
Molecular FormulaC10H16F2
Molecular Weight174.23 g/mol
Exact Mass174.12
IUPAC Name3-fluoro-3-(fluoromethyl)-6-methyl-5-methylidenehept-1-ene
SMILESC=CC(F)(CF)CC(=C)C(C)C
InChIInChI=1S/C10H16F2/c1-5-10(12,7-11)6-9(4)8(2)3/h5,8H,1,4,6-7H2,2-3H3
InChIKeyXAJNCMGQQIRDQV-UHFFFAOYSA-N
XLogP3.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.23
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

4,4,7-trimethyl-6-methylideneoct-1-ene
CID 59085404
1,1,1-trifluoro-2-(fluoromethyl)but-3-en-2-ol
CID 87791383
2-ethyl-2-fluorobut-3-en-1-amine
CID 112565923
3,6-dimethyl-5-methylidenehept-1-ene
CID 91477493
ethyl 2-hydroxy-5-methyl-4-methylidene-2-(trifluoromethyl)hexanoate
CID 162537757
7-methyl-3,6-dimethylideneoct-1-ene
CID 102247656
3,4-difluoro-3-methylpent-1-ene
CID 123355021
3-ethyl-4-methyl-3-propan-2-ylpent-1-ene
CID 141443775
methane;2,5,5-trimethyl-3,7-dimethylidenenonane
CID 160593852
3,6,6-trimethyl-4-methylidenehept-1-ene
CID 71395032
(3Z)-7,7,8,8-tetrafluoro-3,4-di(propan-2-yl)octa-1,3-diene
CID 177485167
3-methyl-2-(trifluoromethylsulfonyl)but-1-ene
CID 89138166

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-3-(fluoromethyl)-6-methyl-5-methylidenehept-1-ene?
The IUPAC name of 3-fluoro-3-(fluoromethyl)-6-methyl-5-methylidenehept-1-ene (CID 143909189) is 3-fluoro-3-(fluoromethyl)-6-methyl-5-methylidenehept-1-ene.
What is the SMILES notation for 3-fluoro-3-(fluoromethyl)-6-methyl-5-methylidenehept-1-ene?
The canonical SMILES for 3-fluoro-3-(fluoromethyl)-6-methyl-5-methylidenehept-1-ene is C=CC(F)(CF)CC(=C)C(C)C.
What is the InChIKey of 3-fluoro-3-(fluoromethyl)-6-methyl-5-methylidenehept-1-ene?
The InChIKey is XAJNCMGQQIRDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2/c1-5-10(12,7-11)6-9(4)8(2)3/h5,8H,1,4,6-7H2,2-3H3.
What are the key properties of 3-fluoro-3-(fluoromethyl)-6-methyl-5-methylidenehept-1-ene?
3-fluoro-3-(fluoromethyl)-6-methyl-5-methylidenehept-1-ene has a molecular weight of 174.23 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(fluoromethyl)-6-methyl-5-methylidenehept-1-ene is sourced from PubChem (CID 143909189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).