2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)guanidine

C7H11F2N3 — CID 164655478

IUPAC2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)guanidine
SMILESNC(N)=NC1CC2C(C1)C2(F)F
InChIInChI=1S/C7H11F2N3/c8-7(9)4-1-3(2-5(4)7)12-6(10)11/h3-5H,1-2H2,(H4,10,11,12)
InChIKeyVLDBQZQNSSTTEZ-UHFFFAOYSA-N
MW175.18 g/mol
LogP0.30
Rot. Bonds1

About 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)guanidine

2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)guanidine (PubChem CID 164655478) has the molecular formula C7H11F2N3 and a molecular weight of 175.18 g/mol. Its IUPAC name is 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)guanidine.

Molecular Properties

Compound Name2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)guanidine
PubChem CID164655478
Molecular FormulaC7H11F2N3
Molecular Weight175.18 g/mol
Exact Mass175.09
IUPAC Name2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)guanidine
SMILESNC(N)=NC1CC2C(C1)C2(F)F
InChIInChI=1S/C7H11F2N3/c8-7(9)4-1-3(2-5(4)7)12-6(10)11/h3-5H,1-2H2,(H4,10,11,12)
InChIKeyVLDBQZQNSSTTEZ-UHFFFAOYSA-N
XLogP0.30
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 50.30
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

(3S,4S)-7,7-difluorobicyclo[4.1.0]heptane-3,4-diamine
CID 134438278
4-amino-7,7-difluorobicyclo[4.1.0]heptan-3-ol
CID 130054075
2-[(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)amino]-N'-hydroxyethanimidamide
CID 164654796
3-bromo-6,6-difluorobicyclo[3.1.0]hexane
CID 130115031
7,7-difluorobicyclo[2.2.1]heptane-2,5-diamine
CID 21301277
2-(3-hydroxy-2,2-dimethylcyclobutyl)guanidine
CID 114630033
[3-(diaminomethylideneamino)cyclopentyl] formate
CID 88834412
3-(diaminomethylideneamino)-1-hydroxycyclobutane-1-carboxylic acid
CID 118492941
2-(3,3-dimethylcyclopentyl)guanidine
CID 114541129
(2S)-2-amino-2-[(1S,5S)-6,6-difluoro-3-bicyclo[3.1.0]hexanyl]acetic acid
CID 98088562
cis-(1S,3R)-3-(diaminomethylideneamino)cyclopentane-1-carboxylic acid
CID 68554300
2-amino-2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)acetic acid;hydrochloride
CID 167742178

Frequently Asked Questions

What is the IUPAC name of 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)guanidine?
The IUPAC name of 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)guanidine (CID 164655478) is 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)guanidine.
What is the SMILES notation for 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)guanidine?
The canonical SMILES for 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)guanidine is NC(N)=NC1CC2C(C1)C2(F)F.
What is the InChIKey of 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)guanidine?
The InChIKey is VLDBQZQNSSTTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3/c8-7(9)4-1-3(2-5(4)7)12-6(10)11/h3-5H,1-2H2,(H4,10,11,12).
What are the key properties of 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)guanidine?
2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)guanidine has a molecular weight of 175.18 g/mol, XLogP of 0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6,6-difluoro-3-bicyclo[3.1.0]hexanyl)guanidine is sourced from PubChem (CID 164655478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).