4-(3-aminopropyl)-2-chloro-3,5-difluorophenol

C9H10ClF2NO — CID 84788306

IUPAC4-(3-aminopropyl)-2-chloro-3,5-difluorophenol
SMILESNCCCc1c(F)cc(O)c(Cl)c1F
InChIInChI=1S/C9H10ClF2NO/c10-8-7(14)4-6(11)5(9(8)12)2-1-3-13/h4,14H,1-3,13H2
InChIKeyFRXSSKUYHKXXIP-UHFFFAOYSA-N
MW221.63 g/mol
LogP2.22
Rot. Bonds3

About 4-(3-aminopropyl)-2-chloro-3,5-difluorophenol

4-(3-aminopropyl)-2-chloro-3,5-difluorophenol (PubChem CID 84788306) has the molecular formula C9H10ClF2NO and a molecular weight of 221.63 g/mol. Its IUPAC name is 4-(3-aminopropyl)-2-chloro-3,5-difluorophenol.

Molecular Properties

Compound Name4-(3-aminopropyl)-2-chloro-3,5-difluorophenol
PubChem CID84788306
Molecular FormulaC9H10ClF2NO
Molecular Weight221.63 g/mol
Exact Mass221.04
IUPAC Name4-(3-aminopropyl)-2-chloro-3,5-difluorophenol
SMILESNCCCc1c(F)cc(O)c(Cl)c1F
InChIInChI=1S/C9H10ClF2NO/c10-8-7(14)4-6(11)5(9(8)12)2-1-3-13/h4,14H,1-3,13H2
InChIKeyFRXSSKUYHKXXIP-UHFFFAOYSA-N
XLogP2.22
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.63
LogP ≤ 52.22
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

2-(3-aminopropyl)-3-chloro-4-fluorophenol
CID 83881714
3-(3-aminopropyl)-4-chloro-2-fluorophenol
CID 84777605
3-(3-chloro-2,4,6-trifluorophenyl)propan-1-ol
CID 117322509
3-(4-chloro-2,3,5,6-tetrafluorophenyl)propan-1-amine
CID 115113372
3-(3-chloro-2,4-difluoro-6-methoxyphenyl)propan-1-amine
CID 84797782
5-(3-aminopropyl)-3-chloro-2-fluorophenol
CID 84777602
4-(2-amino-1-hydroxyethyl)-2-chloro-3,5-difluorophenol
CID 84789353
2-(4-aminobutyl)-6-chloro-3,4-difluorophenol
CID 117343886
4-(1-aminopropan-2-yl)-2-chloro-3,5-difluorophenol
CID 84788308
4-(3-aminopropyl)-2-chloro-6-fluorobenzene-1,3-diol
CID 84787142
3-(3-chloro-2-fluoro-5,6-dimethylphenyl)propan-1-amine
CID 117307547
2-(3-aminopropyl)-6-bromo-3,4-difluorophenol
CID 83902395

Frequently Asked Questions

What is the IUPAC name of 4-(3-aminopropyl)-2-chloro-3,5-difluorophenol?
The IUPAC name of 4-(3-aminopropyl)-2-chloro-3,5-difluorophenol (CID 84788306) is 4-(3-aminopropyl)-2-chloro-3,5-difluorophenol.
What is the SMILES notation for 4-(3-aminopropyl)-2-chloro-3,5-difluorophenol?
The canonical SMILES for 4-(3-aminopropyl)-2-chloro-3,5-difluorophenol is NCCCc1c(F)cc(O)c(Cl)c1F.
What is the InChIKey of 4-(3-aminopropyl)-2-chloro-3,5-difluorophenol?
The InChIKey is FRXSSKUYHKXXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2NO/c10-8-7(14)4-6(11)5(9(8)12)2-1-3-13/h4,14H,1-3,13H2.
What are the key properties of 4-(3-aminopropyl)-2-chloro-3,5-difluorophenol?
4-(3-aminopropyl)-2-chloro-3,5-difluorophenol has a molecular weight of 221.63 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-aminopropyl)-2-chloro-3,5-difluorophenol is sourced from PubChem (CID 84788306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).