3-fluoropropane-1,2-diamine;toluene

C10H17FN2 — CID 143077433

IUPAC3-fluoropropane-1,2-diamine;toluene
SMILESCc1ccccc1.NCC(N)CF
InChIInChI=1S/C7H8.C3H9FN2/c1-7-5-3-2-4-6-7;4-1-3(6)2-5/h2-6H,1H3;3H,1-2,5-6H2
InChIKeyUCMJMZWVKXTQCQ-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.24
Rot. Bonds2

About 3-fluoropropane-1,2-diamine;toluene

3-fluoropropane-1,2-diamine;toluene (PubChem CID 143077433) has the molecular formula C10H17FN2 and a molecular weight of 184.26 g/mol. Its IUPAC name is 3-fluoropropane-1,2-diamine;toluene.

Molecular Properties

Compound Name3-fluoropropane-1,2-diamine;toluene
PubChem CID143077433
Molecular FormulaC10H17FN2
Molecular Weight184.26 g/mol
Exact Mass184.14
IUPAC Name3-fluoropropane-1,2-diamine;toluene
SMILESCc1ccccc1.NCC(N)CF
InChIInChI=1S/C7H8.C3H9FN2/c1-7-5-3-2-4-6-7;4-1-3(6)2-5/h2-6H,1H3;3H,1-2,5-6H2
InChIKeyUCMJMZWVKXTQCQ-UHFFFAOYSA-N
XLogP1.24
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoropropane-1,2-diamine;toluene?
The IUPAC name of 3-fluoropropane-1,2-diamine;toluene (CID 143077433) is 3-fluoropropane-1,2-diamine;toluene.
What is the SMILES notation for 3-fluoropropane-1,2-diamine;toluene?
The canonical SMILES for 3-fluoropropane-1,2-diamine;toluene is Cc1ccccc1.NCC(N)CF.
What is the InChIKey of 3-fluoropropane-1,2-diamine;toluene?
The InChIKey is UCMJMZWVKXTQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8.C3H9FN2/c1-7-5-3-2-4-6-7;4-1-3(6)2-5/h2-6H,1H3;3H,1-2,5-6H2.
What are the key properties of 3-fluoropropane-1,2-diamine;toluene?
3-fluoropropane-1,2-diamine;toluene has a molecular weight of 184.26 g/mol, XLogP of 1.24, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropropane-1,2-diamine;toluene is sourced from PubChem (CID 143077433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).