CID 90803508

C5H7F2 — CID 90803508

IUPAC—
SMILES[CH2]CCC=C(F)F
InChIInChI=1S/C5H7F2/c1-2-3-4-5(6)7/h4H,1-3H2
InChIKeyKHNAAGDADWGUJX-UHFFFAOYSA-N
MW105.11 g/mol
LogP2.38
Rot. Bonds2

About CID 90803508

CID 90803508 (PubChem CID 90803508) has the molecular formula C5H7F2 and a molecular weight of 105.11 g/mol.

Molecular Properties

Compound NameCID 90803508
PubChem CID90803508
Molecular FormulaC5H7F2
Molecular Weight105.11 g/mol
Exact Mass105.05
IUPAC Name—
SMILES[CH2]CCC=C(F)F
InChIInChI=1S/C5H7F2/c1-2-3-4-5(6)7/h4H,1-3H2
InChIKeyKHNAAGDADWGUJX-UHFFFAOYSA-N
XLogP2.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.11
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze CID 90803508 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of CID 90803508?
The IUPAC name of CID 90803508 (CID 90803508) is not available.
What is the SMILES notation for CID 90803508?
The canonical SMILES for CID 90803508 is [CH2]CCC=C(F)F.
What is the InChIKey of CID 90803508?
The InChIKey is KHNAAGDADWGUJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2/c1-2-3-4-5(6)7/h4H,1-3H2.
What are the key properties of CID 90803508?
CID 90803508 has a molecular weight of 105.11 g/mol, XLogP of 2.38, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 90803508 is sourced from PubChem (CID 90803508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).