4-[2-(1-aminocyclopropyl)ethyl]-2-(difluoromethyl)phenol

C12H15F2NO — CID 105484504

IUPAC4-[2-(1-aminocyclopropyl)ethyl]-2-(difluoromethyl)phenol
SMILESNC1(CCc2ccc(O)c(C(F)F)c2)CC1
InChIInChI=1S/C12H15F2NO/c13-11(14)9-7-8(1-2-10(9)16)3-4-12(15)5-6-12/h1-2,7,11,16H,3-6,15H2
InChIKeyLGUVTHYXDBAMIN-UHFFFAOYSA-N
MW227.25 g/mol
LogP2.75
Rot. Bonds4

About 4-[2-(1-aminocyclopropyl)ethyl]-2-(difluoromethyl)phenol

4-[2-(1-aminocyclopropyl)ethyl]-2-(difluoromethyl)phenol (PubChem CID 105484504) has the molecular formula C12H15F2NO and a molecular weight of 227.25 g/mol. Its IUPAC name is 4-[2-(1-aminocyclopropyl)ethyl]-2-(difluoromethyl)phenol.

Molecular Properties

Compound Name4-[2-(1-aminocyclopropyl)ethyl]-2-(difluoromethyl)phenol
PubChem CID105484504
Molecular FormulaC12H15F2NO
Molecular Weight227.25 g/mol
Exact Mass227.11
IUPAC Name4-[2-(1-aminocyclopropyl)ethyl]-2-(difluoromethyl)phenol
SMILESNC1(CCc2ccc(O)c(C(F)F)c2)CC1
InChIInChI=1S/C12H15F2NO/c13-11(14)9-7-8(1-2-10(9)16)3-4-12(15)5-6-12/h1-2,7,11,16H,3-6,15H2
InChIKeyLGUVTHYXDBAMIN-UHFFFAOYSA-N
XLogP2.75
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.25
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-aminocyclopropyl)ethyl]-2-(difluoromethyl)phenol?
The IUPAC name of 4-[2-(1-aminocyclopropyl)ethyl]-2-(difluoromethyl)phenol (CID 105484504) is 4-[2-(1-aminocyclopropyl)ethyl]-2-(difluoromethyl)phenol.
What is the SMILES notation for 4-[2-(1-aminocyclopropyl)ethyl]-2-(difluoromethyl)phenol?
The canonical SMILES for 4-[2-(1-aminocyclopropyl)ethyl]-2-(difluoromethyl)phenol is NC1(CCc2ccc(O)c(C(F)F)c2)CC1.
What is the InChIKey of 4-[2-(1-aminocyclopropyl)ethyl]-2-(difluoromethyl)phenol?
The InChIKey is LGUVTHYXDBAMIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO/c13-11(14)9-7-8(1-2-10(9)16)3-4-12(15)5-6-12/h1-2,7,11,16H,3-6,15H2.
What are the key properties of 4-[2-(1-aminocyclopropyl)ethyl]-2-(difluoromethyl)phenol?
4-[2-(1-aminocyclopropyl)ethyl]-2-(difluoromethyl)phenol has a molecular weight of 227.25 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-aminocyclopropyl)ethyl]-2-(difluoromethyl)phenol is sourced from PubChem (CID 105484504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).