1,1,1-trifluorohept-2-ene

C7H11F3 — CID 2782636

IUPAC1,1,1-trifluorohept-2-ene
SMILESCCCCC=CC(F)(F)F
InChIInChI=1S/C7H11F3/c1-2-3-4-5-6-7(8,9)10/h5-6H,2-4H2,1H3
InChIKeyQRILSXJWCCVOIT-UHFFFAOYSA-N
MW152.16 g/mol
LogP3.30
Rot. Bonds3

About 1,1,1-trifluorohept-2-ene

1,1,1-trifluorohept-2-ene (PubChem CID 2782636) has the molecular formula C7H11F3 and a molecular weight of 152.16 g/mol. Its IUPAC name is 1,1,1-trifluorohept-2-ene.

Molecular Properties

Compound Name1,1,1-trifluorohept-2-ene
PubChem CID2782636
Molecular FormulaC7H11F3
Molecular Weight152.16 g/mol
Exact Mass152.08
IUPAC Name1,1,1-trifluorohept-2-ene
SMILESCCCCC=CC(F)(F)F
InChIInChI=1S/C7H11F3/c1-2-3-4-5-6-7(8,9)10/h5-6H,2-4H2,1H3
InChIKeyQRILSXJWCCVOIT-UHFFFAOYSA-N
XLogP3.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.16
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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2,2-dimethyloct-3-enethial
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bis((3E)-octa-1,3-diene);ruthenium
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1,1,1,2-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)oct-3-ene
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(E)-1-diethoxyphosphoryl-1,1-difluorohept-2-ene
CID 10539959
2,2-difluoro-3-methyldeca-3,5-diene
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(E)-9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,16-heptadecafluorohexadec-7-ene
CID 12820302
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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluorohept-2-ene?
The IUPAC name of 1,1,1-trifluorohept-2-ene (CID 2782636) is 1,1,1-trifluorohept-2-ene.
What is the SMILES notation for 1,1,1-trifluorohept-2-ene?
The canonical SMILES for 1,1,1-trifluorohept-2-ene is CCCCC=CC(F)(F)F.
What is the InChIKey of 1,1,1-trifluorohept-2-ene?
The InChIKey is QRILSXJWCCVOIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F3/c1-2-3-4-5-6-7(8,9)10/h5-6H,2-4H2,1H3.
What are the key properties of 1,1,1-trifluorohept-2-ene?
1,1,1-trifluorohept-2-ene has a molecular weight of 152.16 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluorohept-2-ene is sourced from PubChem (CID 2782636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).