4-[2-(1-aminocyclopropyl)ethyl]-3,5-difluorophenol

C11H13F2NO — CID 105466615

IUPAC4-[2-(1-aminocyclopropyl)ethyl]-3,5-difluorophenol
SMILESNC1(CCc2c(F)cc(O)cc2F)CC1
InChIInChI=1S/C11H13F2NO/c12-9-5-7(15)6-10(13)8(9)1-2-11(14)3-4-11/h5-6,15H,1-4,14H2
InChIKeyKFHJHTYTANYPAB-UHFFFAOYSA-N
MW213.23 g/mol
LogP2.09
Rot. Bonds3

About 4-[2-(1-aminocyclopropyl)ethyl]-3,5-difluorophenol

4-[2-(1-aminocyclopropyl)ethyl]-3,5-difluorophenol (PubChem CID 105466615) has the molecular formula C11H13F2NO and a molecular weight of 213.23 g/mol. Its IUPAC name is 4-[2-(1-aminocyclopropyl)ethyl]-3,5-difluorophenol.

Molecular Properties

Compound Name4-[2-(1-aminocyclopropyl)ethyl]-3,5-difluorophenol
PubChem CID105466615
Molecular FormulaC11H13F2NO
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name4-[2-(1-aminocyclopropyl)ethyl]-3,5-difluorophenol
SMILESNC1(CCc2c(F)cc(O)cc2F)CC1
InChIInChI=1S/C11H13F2NO/c12-9-5-7(15)6-10(13)8(9)1-2-11(14)3-4-11/h5-6,15H,1-4,14H2
InChIKeyKFHJHTYTANYPAB-UHFFFAOYSA-N
XLogP2.09
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 52.09
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]-3,5-difluorophenol?
The IUPAC name of 4-[2-(1-aminocyclopropyl)ethyl]-3,5-difluorophenol (CID 105466615) is 4-[2-(1-aminocyclopropyl)ethyl]-3,5-difluorophenol.
What is the SMILES notation for 4-[2-(1-aminocyclopropyl)ethyl]-3,5-difluorophenol?
The canonical SMILES for 4-[2-(1-aminocyclopropyl)ethyl]-3,5-difluorophenol is NC1(CCc2c(F)cc(O)cc2F)CC1.
What is the InChIKey of 4-[2-(1-aminocyclopropyl)ethyl]-3,5-difluorophenol?
The InChIKey is KFHJHTYTANYPAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F2NO/c12-9-5-7(15)6-10(13)8(9)1-2-11(14)3-4-11/h5-6,15H,1-4,14H2.
What are the key properties of 4-[2-(1-aminocyclopropyl)ethyl]-3,5-difluorophenol?
4-[2-(1-aminocyclopropyl)ethyl]-3,5-difluorophenol has a molecular weight of 213.23 g/mol, XLogP of 2.09, 3 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]-3,5-difluorophenol is sourced from PubChem (CID 105466615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).