CID 134966902

C7H13F2 — CID 134966902

IUPAC—
SMILESCCCC[CH]CC(F)F
InChIInChI=1S/C7H13F2/c1-2-3-4-5-6-7(8)9/h5,7H,2-4,6H2,1H3
InChIKeyQNWAHJQHVYDTCE-UHFFFAOYSA-N
MW135.18 g/mol
LogP3.04
Rot. Bonds5

About CID 134966902

CID 134966902 (PubChem CID 134966902) has the molecular formula C7H13F2 and a molecular weight of 135.18 g/mol.

Molecular Properties

Compound NameCID 134966902
PubChem CID134966902
Molecular FormulaC7H13F2
Molecular Weight135.18 g/mol
Exact Mass135.10
IUPAC Name—
SMILESCCCC[CH]CC(F)F
InChIInChI=1S/C7H13F2/c1-2-3-4-5-6-7(8)9/h5,7H,2-4,6H2,1H3
InChIKeyQNWAHJQHVYDTCE-UHFFFAOYSA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.18
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

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CID 131232400
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CID 141110817
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CID 143821144
2-methyldodeca-4,7-diene
CID 123659021
(4E,9Z)-tetradeca-4,9-diene
CID 152732976

Frequently Asked Questions

What is the IUPAC name of CID 134966902?
The IUPAC name of CID 134966902 (CID 134966902) is not available.
What is the SMILES notation for CID 134966902?
The canonical SMILES for CID 134966902 is CCCC[CH]CC(F)F.
What is the InChIKey of CID 134966902?
The InChIKey is QNWAHJQHVYDTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2/c1-2-3-4-5-6-7(8)9/h5,7H,2-4,6H2,1H3.
What are the key properties of CID 134966902?
CID 134966902 has a molecular weight of 135.18 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 134966902 is sourced from PubChem (CID 134966902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).