2-(4-aminobutyl)-4,5-difluorophenol

C10H13F2NO — CID 117289972

IUPAC2-(4-aminobutyl)-4,5-difluorophenol
SMILESNCCCCc1cc(F)c(F)cc1O
InChIInChI=1S/C10H13F2NO/c11-8-5-7(3-1-2-4-13)10(14)6-9(8)12/h5-6,14H,1-4,13H2
InChIKeyGXNGIRIRIVBIGC-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.95
Rot. Bonds4

About 2-(4-aminobutyl)-4,5-difluorophenol

2-(4-aminobutyl)-4,5-difluorophenol (PubChem CID 117289972) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 2-(4-aminobutyl)-4,5-difluorophenol.

Molecular Properties

Compound Name2-(4-aminobutyl)-4,5-difluorophenol
PubChem CID117289972
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name2-(4-aminobutyl)-4,5-difluorophenol
SMILESNCCCCc1cc(F)c(F)cc1O
InChIInChI=1S/C10H13F2NO/c11-8-5-7(3-1-2-4-13)10(14)6-9(8)12/h5-6,14H,1-4,13H2
InChIKeyGXNGIRIRIVBIGC-UHFFFAOYSA-N
XLogP1.95
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-aminobutyl)-4-bromo-5-fluorophenol
CID 117409491
2-(3-aminopropyl)-4-bromo-5-fluorophenol
CID 83900240
3-(4-aminobutyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117313250
4-(2,3,4,5-tetrafluorophenyl)butan-1-amine
CID 87970445
3-(4-aminobutyl)-6-bromonaphthalen-2-ol
CID 117474498
2-(3-aminobutyl)-4,5-difluorophenol
CID 141202950
3-(3-aminopropyl)naphthalen-2-ol
CID 117290164
2-(4-aminobutyl)-6-fluorophenol
CID 117279586
4-(3-aminopropyl)-2-chloro-6-fluorobenzene-1,3-diol
CID 84787142
2-(3-aminopropyl)-4-bromo-5-methoxyphenol
CID 117403912
5-(3-aminopropyl)-2,4-dihydroxybenzonitrile
CID 117282929
2-(3-aminopropyl)-4-(trifluoromethyl)phenol
CID 82262792

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminobutyl)-4,5-difluorophenol?
The IUPAC name of 2-(4-aminobutyl)-4,5-difluorophenol (CID 117289972) is 2-(4-aminobutyl)-4,5-difluorophenol.
What is the SMILES notation for 2-(4-aminobutyl)-4,5-difluorophenol?
The canonical SMILES for 2-(4-aminobutyl)-4,5-difluorophenol is NCCCCc1cc(F)c(F)cc1O.
What is the InChIKey of 2-(4-aminobutyl)-4,5-difluorophenol?
The InChIKey is GXNGIRIRIVBIGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c11-8-5-7(3-1-2-4-13)10(14)6-9(8)12/h5-6,14H,1-4,13H2.
What are the key properties of 2-(4-aminobutyl)-4,5-difluorophenol?
2-(4-aminobutyl)-4,5-difluorophenol has a molecular weight of 201.22 g/mol, XLogP of 1.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminobutyl)-4,5-difluorophenol is sourced from PubChem (CID 117289972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).