trans-(1R,2R)-2-(trifluoromethyl)cyclopropane-1-carboximidamide

C5H7F3N2 — CID 146082274

IUPACtrans-(1R,2R)-2-(trifluoromethyl)cyclopropane-1-carboximidamide
SMILES[H]/N=C(\N)[C@@H]1C[C@H]1C(F)(F)F
InChIInChI=1S/C5H7F3N2/c6-5(7,8)3-1-2(3)4(9)10/h2-3H,1H2,(H3,9,10)/t2-,3-/m1/s1
InChIKeyGEISUCOYDVDPKB-PWNYCUMCSA-N
MW152.12 g/mol
LogP1.12
Rot. Bonds1

About trans-(1R,2R)-2-(trifluoromethyl)cyclopropane-1-carboximidamide

trans-(1R,2R)-2-(trifluoromethyl)cyclopropane-1-carboximidamide (PubChem CID 146082274) has the molecular formula C5H7F3N2 and a molecular weight of 152.12 g/mol. Its IUPAC name is trans-(1R,2R)-2-(trifluoromethyl)cyclopropane-1-carboximidamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(trifluoromethyl)cyclopropane-1-carboximidamide
PubChem CID146082274
Molecular FormulaC5H7F3N2
Molecular Weight152.12 g/mol
Exact Mass152.06
IUPAC Nametrans-(1R,2R)-2-(trifluoromethyl)cyclopropane-1-carboximidamide
SMILES[H]/N=C(\N)[C@@H]1C[C@H]1C(F)(F)F
InChIInChI=1S/C5H7F3N2/c6-5(7,8)3-1-2(3)4(9)10/h2-3H,1H2,(H3,9,10)/t2-,3-/m1/s1
InChIKeyGEISUCOYDVDPKB-PWNYCUMCSA-N
XLogP1.12
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.12
LogP ≤ 51.12
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

rac-(1R,2R)-N'-hydroxy-2-(trifluoromethyl)cyclopropane-1-carboximidamide
CID 146082468
2-Cyclopropyl-acetamidine
CID 23104046
2,2-Difluorocyclopropanecarboximidamide
CID 72218518
3,3-Difluorocyclobutane-1-carboximidamide
CID 105434632
2,2,3,3-Tetrafluorocyclobutane-1-carboximidamide
CID 4347685
2-Cyclopropyl-2-fluoroethanimidamide
CID 115011075
2-Cyclopropyl-2,2-difluoroethanimidamide
CID 115011276
2-(Trifluoromethyl)cyclopropanecarboximidamide hydrochloride
CID 139269553
2-(Trifluoromethyl)cyclopropanecarboximidamide
CID 139269554
4,4,4-Trifluoro-3-(trifluoromethyl)butanimidamide
CID 145912914
N'-hydroxy-2-(trifluoromethyl)cyclopropane-1-carboximidamide
CID 165869781

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(trifluoromethyl)cyclopropane-1-carboximidamide?
The IUPAC name of trans-(1R,2R)-2-(trifluoromethyl)cyclopropane-1-carboximidamide (CID 146082274) is trans-(1R,2R)-2-(trifluoromethyl)cyclopropane-1-carboximidamide.
What is the SMILES notation for trans-(1R,2R)-2-(trifluoromethyl)cyclopropane-1-carboximidamide?
The canonical SMILES for trans-(1R,2R)-2-(trifluoromethyl)cyclopropane-1-carboximidamide is [H]/N=C(\N)[C@@H]1C[C@H]1C(F)(F)F.
What is the InChIKey of trans-(1R,2R)-2-(trifluoromethyl)cyclopropane-1-carboximidamide?
The InChIKey is GEISUCOYDVDPKB-PWNYCUMCSA-N. The full InChI is InChI=1S/C5H7F3N2/c6-5(7,8)3-1-2(3)4(9)10/h2-3H,1H2,(H3,9,10)/t2-,3-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(trifluoromethyl)cyclopropane-1-carboximidamide?
trans-(1R,2R)-2-(trifluoromethyl)cyclopropane-1-carboximidamide has a molecular weight of 152.12 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(trifluoromethyl)cyclopropane-1-carboximidamide is sourced from PubChem (CID 146082274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).