4-(1-aminoethyl)-2-chloro-3,5-difluorophenol

C8H8ClF2NO — CID 84779943

IUPAC4-(1-aminoethyl)-2-chloro-3,5-difluorophenol
SMILESCC(N)c1c(F)cc(O)c(Cl)c1F
InChIInChI=1S/C8H8ClF2NO/c1-3(12)6-4(10)2-5(13)7(9)8(6)11/h2-3,13H,12H2,1H3
InChIKeySZXRQYDBSRRTJA-UHFFFAOYSA-N
MW207.61 g/mol
LogP2.34
Rot. Bonds1

About 4-(1-aminoethyl)-2-chloro-3,5-difluorophenol

4-(1-aminoethyl)-2-chloro-3,5-difluorophenol (PubChem CID 84779943) has the molecular formula C8H8ClF2NO and a molecular weight of 207.61 g/mol. Its IUPAC name is 4-(1-aminoethyl)-2-chloro-3,5-difluorophenol.

Molecular Properties

Compound Name4-(1-aminoethyl)-2-chloro-3,5-difluorophenol
PubChem CID84779943
Molecular FormulaC8H8ClF2NO
Molecular Weight207.61 g/mol
Exact Mass207.03
IUPAC Name4-(1-aminoethyl)-2-chloro-3,5-difluorophenol
SMILESCC(N)c1c(F)cc(O)c(Cl)c1F
InChIInChI=1S/C8H8ClF2NO/c1-3(12)6-4(10)2-5(13)7(9)8(6)11/h2-3,13H,12H2,1H3
InChIKeySZXRQYDBSRRTJA-UHFFFAOYSA-N
XLogP2.34
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.61
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

4-(1-aminopropan-2-yl)-2-chloro-3,5-difluorophenol
CID 84788308
4-(2-amino-1-hydroxyethyl)-2-chloro-3,5-difluorophenol
CID 84789353
2-(1-aminoethyl)-6-chloro-3,4-difluorophenol
CID 117296950
2-(1-aminoethyl)-3,4-difluorophenol
CID 84654585
(1R)-1-(3-chloro-2,6-difluorophenyl)ethanamine
CID 130707834
1-(4-chloro-2,3,5,6-tetrafluorophenyl)ethanamine
CID 117110993
2-[(1R)-1-aminoethyl]-4,5-difluorophenol
CID 55275252
4-(1-aminoethyl)-2-chloro-6-fluorobenzene-1,3-diol
CID 84778822
2-[(1R)-1-aminoethyl]-6-bromo-3,5-difluorophenol
CID 131053212
1-(4-bromo-2,6-difluorophenyl)ethanamine
CID 67403497
4-(3-aminopropyl)-2-chloro-3,5-difluorophenol
CID 84788306
1-(6-chloro-2,3-difluorophenyl)ethanamine
CID 130512093

Frequently Asked Questions

What is the IUPAC name of 4-(1-aminoethyl)-2-chloro-3,5-difluorophenol?
The IUPAC name of 4-(1-aminoethyl)-2-chloro-3,5-difluorophenol (CID 84779943) is 4-(1-aminoethyl)-2-chloro-3,5-difluorophenol.
What is the SMILES notation for 4-(1-aminoethyl)-2-chloro-3,5-difluorophenol?
The canonical SMILES for 4-(1-aminoethyl)-2-chloro-3,5-difluorophenol is CC(N)c1c(F)cc(O)c(Cl)c1F.
What is the InChIKey of 4-(1-aminoethyl)-2-chloro-3,5-difluorophenol?
The InChIKey is SZXRQYDBSRRTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO/c1-3(12)6-4(10)2-5(13)7(9)8(6)11/h2-3,13H,12H2,1H3.
What are the key properties of 4-(1-aminoethyl)-2-chloro-3,5-difluorophenol?
4-(1-aminoethyl)-2-chloro-3,5-difluorophenol has a molecular weight of 207.61 g/mol, XLogP of 2.34, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-aminoethyl)-2-chloro-3,5-difluorophenol is sourced from PubChem (CID 84779943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).