4-(3-aminopropyl)-2-chloro-6-fluorobenzene-1,3-diol

C9H11ClFNO2 — CID 84787142

IUPAC4-(3-aminopropyl)-2-chloro-6-fluorobenzene-1,3-diol
SMILESNCCCc1cc(F)c(O)c(Cl)c1O
InChIInChI=1S/C9H11ClFNO2/c10-7-8(13)5(2-1-3-12)4-6(11)9(7)14/h4,13-14H,1-3,12H2
InChIKeyGOMWKWOTYNEILM-UHFFFAOYSA-N
MW219.64 g/mol
LogP1.78
Rot. Bonds3

About 4-(3-aminopropyl)-2-chloro-6-fluorobenzene-1,3-diol

4-(3-aminopropyl)-2-chloro-6-fluorobenzene-1,3-diol (PubChem CID 84787142) has the molecular formula C9H11ClFNO2 and a molecular weight of 219.64 g/mol. Its IUPAC name is 4-(3-aminopropyl)-2-chloro-6-fluorobenzene-1,3-diol.

Molecular Properties

Compound Name4-(3-aminopropyl)-2-chloro-6-fluorobenzene-1,3-diol
PubChem CID84787142
Molecular FormulaC9H11ClFNO2
Molecular Weight219.64 g/mol
Exact Mass219.05
IUPAC Name4-(3-aminopropyl)-2-chloro-6-fluorobenzene-1,3-diol
SMILESNCCCc1cc(F)c(O)c(Cl)c1O
InChIInChI=1S/C9H11ClFNO2/c10-7-8(13)5(2-1-3-12)4-6(11)9(7)14/h4,13-14H,1-3,12H2
InChIKeyGOMWKWOTYNEILM-UHFFFAOYSA-N
XLogP1.78
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.64
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-chloro-5-fluoro-2,4-dihydroxyphenyl)propanoic acid
CID 84797135
2-(3-aminopropyl)-4-bromo-6-fluorophenol
CID 83900251
3-(3-chloro-2,4,5-trifluorophenyl)propan-1-amine
CID 115113368
4-(2-amino-2-methylpropyl)-2-chloro-6-fluorobenzene-1,3-diol
CID 84796627
3-(4-chloro-2,5-difluorophenyl)propan-1-amine
CID 84778847
2-(3-aminopropyl)-4-chloro-6-(trifluoromethyl)phenol
CID 117386940
2-(4-aminobutyl)-4,5-difluorophenol
CID 117289972
4-(3-aminopropyl)-2-bromo-6-fluoro-3-methoxyphenol
CID 84811292
3-(3-aminopropyl)-6-fluorobenzene-1,2-diol
CID 117280042
2-(3-aminopropyl)-4-fluoro-6-methoxyphenol
CID 117288585
2-(3-aminopropyl)-4-tert-butyl-6-chlorophenol
CID 12868880
4-(3-aminopropyl)-2-chloro-3,5-difluorophenol
CID 84788306

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-2-chloro-6-fluorobenzene-1,3-diol?
The IUPAC name of 4-(3-aminopropyl)-2-chloro-6-fluorobenzene-1,3-diol (CID 84787142) is 4-(3-aminopropyl)-2-chloro-6-fluorobenzene-1,3-diol.
What is the SMILES notation for 4-(3-aminopropyl)-2-chloro-6-fluorobenzene-1,3-diol?
The canonical SMILES for 4-(3-aminopropyl)-2-chloro-6-fluorobenzene-1,3-diol is NCCCc1cc(F)c(O)c(Cl)c1O.
What is the InChIKey of 4-(3-aminopropyl)-2-chloro-6-fluorobenzene-1,3-diol?
The InChIKey is GOMWKWOTYNEILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClFNO2/c10-7-8(13)5(2-1-3-12)4-6(11)9(7)14/h4,13-14H,1-3,12H2.
What are the key properties of 4-(3-aminopropyl)-2-chloro-6-fluorobenzene-1,3-diol?
4-(3-aminopropyl)-2-chloro-6-fluorobenzene-1,3-diol has a molecular weight of 219.64 g/mol, XLogP of 1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-2-chloro-6-fluorobenzene-1,3-diol is sourced from PubChem (CID 84787142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).