2-(1-fluoropropan-2-yl)guanidine

C4H10FN3 — CID 88924930

IUPAC2-(1-fluoropropan-2-yl)guanidine
SMILESCC(CF)N=C(N)N
InChIInChI=1S/C4H10FN3/c1-3(2-5)8-4(6)7/h3H,2H2,1H3,(H4,6,7,8)
InChIKeyQIBHRYNTBYKZHA-UHFFFAOYSA-N
MW119.14 g/mol
LogP-0.38
Rot. Bonds2

About 2-(1-fluoropropan-2-yl)guanidine

2-(1-fluoropropan-2-yl)guanidine (PubChem CID 88924930) has the molecular formula C4H10FN3 and a molecular weight of 119.14 g/mol. Its IUPAC name is 2-(1-fluoropropan-2-yl)guanidine.

Molecular Properties

Compound Name2-(1-fluoropropan-2-yl)guanidine
PubChem CID88924930
Molecular FormulaC4H10FN3
Molecular Weight119.14 g/mol
Exact Mass119.09
IUPAC Name2-(1-fluoropropan-2-yl)guanidine
SMILESCC(CF)N=C(N)N
InChIInChI=1S/C4H10FN3/c1-3(2-5)8-4(6)7/h3H,2H2,1H3,(H4,6,7,8)
InChIKeyQIBHRYNTBYKZHA-UHFFFAOYSA-N
XLogP-0.38
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.14
LogP ≤ 5-0.38
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

Biguanide, 1-isopropyl-, hydrochloride
CID 24181358
Propylguanidine
CID 447907
Isopropylbiguanide
CID 20890
1-Isopropylguanidine
CID 11491919
Isopropylcarbodiimide
CID 19917292
2-Butan-2-yl-1-(diaminomethylidene)guanidine
CID 20892
1-(Diaminomethylidene)-2-(2-fluoropentan-3-yl)guanidine
CID 54142316
1-(Diaminomethylidene)-2-(1-fluoropentan-3-yl)guanidine
CID 57261479
2-(1,1,1-Trifluoropropan-2-yl)guanidine
CID 88924987
2-fluoro-N'-propan-2-ylethanimidamide
CID 89432592
Trifluoro-N-(propan-2-yl)ethanimidamide
CID 89782224
N'-butan-2-yl-2-fluoroethanimidamide
CID 123306588

Frequently Asked Questions

What is the IUPAC name of 2-(1-fluoropropan-2-yl)guanidine?
The IUPAC name of 2-(1-fluoropropan-2-yl)guanidine (CID 88924930) is 2-(1-fluoropropan-2-yl)guanidine.
What is the SMILES notation for 2-(1-fluoropropan-2-yl)guanidine?
The canonical SMILES for 2-(1-fluoropropan-2-yl)guanidine is CC(CF)N=C(N)N.
What is the InChIKey of 2-(1-fluoropropan-2-yl)guanidine?
The InChIKey is QIBHRYNTBYKZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10FN3/c1-3(2-5)8-4(6)7/h3H,2H2,1H3,(H4,6,7,8).
What are the key properties of 2-(1-fluoropropan-2-yl)guanidine?
2-(1-fluoropropan-2-yl)guanidine has a molecular weight of 119.14 g/mol, XLogP of -0.38, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluoropropan-2-yl)guanidine is sourced from PubChem (CID 88924930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).