CID 59129145

C4H6F2N — CID 59129145

IUPAC—
SMILES[NH]CC1CC1(F)F
InChIInChI=1S/C4H6F2N/c5-4(6)1-3(4)2-7/h3,7H,1-2H2
InChIKeyMKJGLTUVLXPWDH-UHFFFAOYSA-N
MW106.09 g/mol
LogP0.92
Rot. Bonds1

About CID 59129145

CID 59129145 (PubChem CID 59129145) has the molecular formula C4H6F2N and a molecular weight of 106.09 g/mol.

Molecular Properties

Compound NameCID 59129145
PubChem CID59129145
Molecular FormulaC4H6F2N
Molecular Weight106.09 g/mol
Exact Mass106.05
IUPAC Name—
SMILES[NH]CC1CC1(F)F
InChIInChI=1S/C4H6F2N/c5-4(6)1-3(4)2-7/h3,7H,1-2H2
InChIKeyMKJGLTUVLXPWDH-UHFFFAOYSA-N
XLogP0.92
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.09
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 59129145?
The IUPAC name of CID 59129145 (CID 59129145) is not available.
What is the SMILES notation for CID 59129145?
The canonical SMILES for CID 59129145 is [NH]CC1CC1(F)F.
What is the InChIKey of CID 59129145?
The InChIKey is MKJGLTUVLXPWDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6F2N/c5-4(6)1-3(4)2-7/h3,7H,1-2H2.
What are the key properties of CID 59129145?
CID 59129145 has a molecular weight of 106.09 g/mol, XLogP of 0.92, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59129145 is sourced from PubChem (CID 59129145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).