1-(3,5-difluorophenyl)-2-propylguanidine

C10H13F2N3 — CID 62378719

IUPAC1-(3,5-difluorophenyl)-2-propylguanidine
SMILESCCC/N=C(\N)Nc1cc(F)cc(F)c1
InChIInChI=1S/C10H13F2N3/c1-2-3-14-10(13)15-9-5-7(11)4-8(12)6-9/h4-6H,2-3H2,1H3,(H3,13,14,15)
InChIKeyKPVRLHMWXFJKDN-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.10
Rot. Bonds3

About 1-(3,5-difluorophenyl)-2-propylguanidine

1-(3,5-difluorophenyl)-2-propylguanidine (PubChem CID 62378719) has the molecular formula C10H13F2N3 and a molecular weight of 213.23 g/mol. Its IUPAC name is 1-(3,5-difluorophenyl)-2-propylguanidine.

Molecular Properties

Compound Name1-(3,5-difluorophenyl)-2-propylguanidine
PubChem CID62378719
Molecular FormulaC10H13F2N3
Molecular Weight213.23 g/mol
Exact Mass213.11
IUPAC Name1-(3,5-difluorophenyl)-2-propylguanidine
SMILESCCC/N=C(\N)Nc1cc(F)cc(F)c1
InChIInChI=1S/C10H13F2N3/c1-2-3-14-10(13)15-9-5-7(11)4-8(12)6-9/h4-6H,2-3H2,1H3,(H3,13,14,15)
InChIKeyKPVRLHMWXFJKDN-UHFFFAOYSA-N
XLogP2.10
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(3,5-difluorophenyl)-2-(2-methylpropyl)guanidine
CID 62381463
2-[2-(3,5-difluorophenyl)ethyl]-1-(4-ethylphenyl)guanidine
CID 111090301
1-(4-iodophenyl)-2-propylguanidine
CID 62380143
1-(4-ethoxy-3-fluorophenyl)-2-propylguanidine
CID 113399815
2-ethyl-1-(3,4,5-trifluorophenyl)guanidine
CID 62811946
1-amino-3-(3-fluoro-5-methoxyphenyl)-2-propylguanidine
CID 114262957
1-(5-bromo-2-fluorophenyl)-2-propylguanidine
CID 62381112
1-(4-ethoxyphenyl)-2-propylguanidine;hydrochloride
CID 90644750
2-[2-(3,5-difluorophenyl)ethyl]-1-ethylguanidine
CID 62616143
1-(3-chloro-4-methoxyphenyl)-2-propylguanidine
CID 62379415
2-[2-(3,5-difluorophenyl)ethyl]-1-(3-methoxyphenyl)guanidine
CID 111090273
1-(3-ethylphenyl)-2-[2-(3-fluorophenyl)ethyl]guanidine
CID 111035398

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-difluorophenyl)-2-propylguanidine?
The IUPAC name of 1-(3,5-difluorophenyl)-2-propylguanidine (CID 62378719) is 1-(3,5-difluorophenyl)-2-propylguanidine.
What is the SMILES notation for 1-(3,5-difluorophenyl)-2-propylguanidine?
The canonical SMILES for 1-(3,5-difluorophenyl)-2-propylguanidine is CCC/N=C(\N)Nc1cc(F)cc(F)c1.
What is the InChIKey of 1-(3,5-difluorophenyl)-2-propylguanidine?
The InChIKey is KPVRLHMWXFJKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3/c1-2-3-14-10(13)15-9-5-7(11)4-8(12)6-9/h4-6H,2-3H2,1H3,(H3,13,14,15).
What are the key properties of 1-(3,5-difluorophenyl)-2-propylguanidine?
1-(3,5-difluorophenyl)-2-propylguanidine has a molecular weight of 213.23 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-difluorophenyl)-2-propylguanidine is sourced from PubChem (CID 62378719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).