3-(2,2-difluorocyclopropyl)propyl-methylazanium

C7H14F2N+ — CID 167468570

IUPAC3-(2,2-difluorocyclopropyl)propyl-methylazanium
SMILESC[NH2+]CCCC1CC1(F)F
InChIInChI=1S/C7H13F2N/c1-10-4-2-3-6-5-7(6,8)9/h6,10H,2-5H2,1H3/p+1
InChIKeyQZVGXFVEINSEMW-UHFFFAOYSA-O
MW150.19 g/mol
LogP0.62
Rot. Bonds4

About 3-(2,2-difluorocyclopropyl)propyl-methylazanium

3-(2,2-difluorocyclopropyl)propyl-methylazanium (PubChem CID 167468570) has the molecular formula C7H14F2N+ and a molecular weight of 150.19 g/mol. Its IUPAC name is 3-(2,2-difluorocyclopropyl)propyl-methylazanium.

Molecular Properties

Compound Name3-(2,2-difluorocyclopropyl)propyl-methylazanium
PubChem CID167468570
Molecular FormulaC7H14F2N+
Molecular Weight150.19 g/mol
Exact Mass150.11
IUPAC Name3-(2,2-difluorocyclopropyl)propyl-methylazanium
SMILESC[NH2+]CCCC1CC1(F)F
InChIInChI=1S/C7H13F2N/c1-10-4-2-3-6-5-7(6,8)9/h6,10H,2-5H2,1H3/p+1
InChIKeyQZVGXFVEINSEMW-UHFFFAOYSA-O
XLogP0.62
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.19
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1,1-difluoro-2-octylcyclopropane
CID 122227717
3-[(1R)-2,2-difluorocyclopropyl]propan-1-ol
CID 129407915
2-[(1R)-2,2-difluorocyclopropyl]ethanamine
CID 97296634
(2R)-2-ethyl-1,1-difluorocyclopropane
CID 123881327
3-[2-(2,2-difluorocyclopropyl)ethyl]-2,2-dimethylcyclobutan-1-amine
CID 164660233
3-(2,2-difluorocyclopropyl)-N-methylpropanamide
CID 175397167
[(1R)-2,2-difluorocyclopropyl]methanol
CID 7171885
3-(2,2-difluorocyclopentyl)propan-1-amine
CID 105432125
1-[(1R)-2,2-difluorocyclopropyl]-N-phosphanylmethanamine
CID 174192847
cobalt;1,1-difluoro-2-prop-2-enylcyclopropane;2-methylpropane
CID 58807930
1,1-difluoro-2-(2-hexyloctyl)cyclopropane
CID 130473775
N-[(2,2-difluorocyclopropyl)methyl]-3,3-difluoro-N-methylcyclobutan-1-amine;hydrochloride
CID 166258945

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluorocyclopropyl)propyl-methylazanium?
The IUPAC name of 3-(2,2-difluorocyclopropyl)propyl-methylazanium (CID 167468570) is 3-(2,2-difluorocyclopropyl)propyl-methylazanium.
What is the SMILES notation for 3-(2,2-difluorocyclopropyl)propyl-methylazanium?
The canonical SMILES for 3-(2,2-difluorocyclopropyl)propyl-methylazanium is C[NH2+]CCCC1CC1(F)F.
What is the InChIKey of 3-(2,2-difluorocyclopropyl)propyl-methylazanium?
The InChIKey is QZVGXFVEINSEMW-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H13F2N/c1-10-4-2-3-6-5-7(6,8)9/h6,10H,2-5H2,1H3/p+1.
What are the key properties of 3-(2,2-difluorocyclopropyl)propyl-methylazanium?
3-(2,2-difluorocyclopropyl)propyl-methylazanium has a molecular weight of 150.19 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluorocyclopropyl)propyl-methylazanium is sourced from PubChem (CID 167468570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).