CID 140662852

C5H6F5 — CID 140662852

IUPAC—
SMILES[CH2]C(F)(F)C(F)(F)CCF
InChIInChI=1S/C5H6F5/c1-4(7,8)5(9,10)2-3-6/h1-3H2
InChIKeyPISONMLKKFTFMB-UHFFFAOYSA-N
MW161.09 g/mol
LogP2.45
Rot. Bonds3

About CID 140662852

CID 140662852 (PubChem CID 140662852) has the molecular formula C5H6F5 and a molecular weight of 161.09 g/mol.

Molecular Properties

Compound NameCID 140662852
PubChem CID140662852
Molecular FormulaC5H6F5
Molecular Weight161.09 g/mol
Exact Mass161.04
IUPAC Name—
SMILES[CH2]C(F)(F)C(F)(F)CCF
InChIInChI=1S/C5H6F5/c1-4(7,8)5(9,10)2-3-6/h1-3H2
InChIKeyPISONMLKKFTFMB-UHFFFAOYSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.09
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

3,4,4,5,5,7-hexafluorohepta-1,2-diene
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difluoromethane;1,1,1,3-tetrafluoropropane
CID 91452847
1,1,1,4-tetrafluoro-2,2-bis(trifluoromethyl)butane
CID 177246313
1,1,3-trifluoropropan-1-ol
CID 18319092
1,1-dibromo-1,3-difluoropropane
CID 165362218
1,1-dichloro-1,3-difluoropropane
CID 14226151
1,3-dichloro-1,2,3,4,4,6-hexafluorohex-1-ene
CID 154388896
2-(2-fluoroethyl)-2-(3,3,3-trifluoropropyl)propanedinitrile
CID 87395428
4-fluoro-2,2-dimethylbutanenitrile
CID 126977208
1,1,1,3,3,5-hexafluoropentan-2-one
CID 174353448
3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-pentadecafluorononan-1-amine
CID 154642605
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecan-1-amine
CID 2783341

Frequently Asked Questions

What is the IUPAC name of CID 140662852?
The IUPAC name of CID 140662852 (CID 140662852) is not available.
What is the SMILES notation for CID 140662852?
The canonical SMILES for CID 140662852 is [CH2]C(F)(F)C(F)(F)CCF.
What is the InChIKey of CID 140662852?
The InChIKey is PISONMLKKFTFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F5/c1-4(7,8)5(9,10)2-3-6/h1-3H2.
What are the key properties of CID 140662852?
CID 140662852 has a molecular weight of 161.09 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140662852 is sourced from PubChem (CID 140662852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).