2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide

C10H19F2N3O — CID 107480282

IUPAC2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN(CCO)CC(F)F)CC1
InChIInChI=1S/C10H19F2N3O/c11-8(12)6-15(3-4-16)7-10(1-2-10)5-9(13)14/h8,16H,1-7H2,(H3,13,14)
InChIKeyUWWRIWOBEVEDDS-UHFFFAOYSA-N
MW235.28 g/mol
LogP0.65
Rot. Bonds8

About 2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide

2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide (PubChem CID 107480282) has the molecular formula C10H19F2N3O and a molecular weight of 235.28 g/mol. Its IUPAC name is 2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound Name2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide
PubChem CID107480282
Molecular FormulaC10H19F2N3O
Molecular Weight235.28 g/mol
Exact Mass235.15
IUPAC Name2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide
SMILES[H]/N=C(\N)CC1(CN(CCO)CC(F)F)CC1
InChIInChI=1S/C10H19F2N3O/c11-8(12)6-15(3-4-16)7-10(1-2-10)5-9(13)14/h8,16H,1-7H2,(H3,13,14)
InChIKeyUWWRIWOBEVEDDS-UHFFFAOYSA-N
XLogP0.65
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 50.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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

N'-hydroxy-2-[1-[[(3,3,3-trifluoro-2-hydroxypropyl)amino]methyl]cyclopropyl]ethanimidamide
CID 105646664
2-[1-[[(3,3-difluoro-2-hydroxypropyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 105646706
2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 107480146
N'-hydroxy-2-[1-[[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]methyl]cyclopropyl]ethanimidamide
CID 107480172
5-[2,2-Difluoroethyl(2-hydroxyethyl)amino]pentanimidamide
CID 107480261
4-[2,2-Difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylbutanimidamide
CID 107480278
5-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]pentanimidamide
CID 107480289
6-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylhexanimidamide
CID 107480302
5-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylpentanimidamide
CID 107480309
6-[2,2-Difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylhexanimidamide
CID 113964399
5-[2,2-Difluoroethyl(2-hydroxyethyl)amino]-2,2-dimethylpentanimidamide
CID 113964400
4-[2-Hydroxyethyl(2,2,2-trifluoroethyl)amino]-2,2-dimethylbutanimidamide
CID 113964402

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide?
The IUPAC name of 2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide (CID 107480282) is 2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for 2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for 2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide is [H]/N=C(\N)CC1(CN(CCO)CC(F)F)CC1.
What is the InChIKey of 2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide?
The InChIKey is UWWRIWOBEVEDDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F2N3O/c11-8(12)6-15(3-4-16)7-10(1-2-10)5-9(13)14/h8,16H,1-7H2,(H3,13,14).
What are the key properties of 2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide?
2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide has a molecular weight of 235.28 g/mol, XLogP of 0.65, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[2,2-difluoroethyl(2-hydroxyethyl)amino]methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 107480282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).