5-[1-(aminomethyl)cyclopropyl]-3-fluorobenzene-1,2-diol

C10H12FNO2 — CID 117286781

IUPAC5-[1-(aminomethyl)cyclopropyl]-3-fluorobenzene-1,2-diol
SMILESNCC1(c2cc(O)c(O)c(F)c2)CC1
InChIInChI=1S/C10H12FNO2/c11-7-3-6(4-8(13)9(7)14)10(5-12)1-2-10/h3-4,13-14H,1-2,5,12H2
InChIKeyOILIGNFSLXXDLE-UHFFFAOYSA-N
MW197.21 g/mol
LogP1.23
Rot. Bonds2

About 5-[1-(aminomethyl)cyclopropyl]-3-fluorobenzene-1,2-diol

5-[1-(aminomethyl)cyclopropyl]-3-fluorobenzene-1,2-diol (PubChem CID 117286781) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is 5-[1-(aminomethyl)cyclopropyl]-3-fluorobenzene-1,2-diol.

Molecular Properties

Compound Name5-[1-(aminomethyl)cyclopropyl]-3-fluorobenzene-1,2-diol
PubChem CID117286781
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name5-[1-(aminomethyl)cyclopropyl]-3-fluorobenzene-1,2-diol
SMILESNCC1(c2cc(O)c(O)c(F)c2)CC1
InChIInChI=1S/C10H12FNO2/c11-7-3-6(4-8(13)9(7)14)10(5-12)1-2-10/h3-4,13-14H,1-2,5,12H2
InChIKeyOILIGNFSLXXDLE-UHFFFAOYSA-N
XLogP1.23
TPSA66.48 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

4-[1-(aminomethyl)cyclopropyl]-2,6-difluorophenol
CID 84775167
5-[1-(aminomethyl)cyclopentyl]-2-bromo-3-fluorophenol
CID 84814384
[1-(4-bromo-3,5-difluorophenyl)cyclopropyl]methanamine
CID 84806909
5-[1-(aminomethyl)cyclohexyl]-3-fluoro-2-hydroxybenzoic acid
CID 117421573
5-(1-aminocyclopentyl)-3-fluorobenzene-1,2-diol
CID 117301230
5-[1-(aminomethyl)cyclopentyl]-3-chloro-2-fluorophenol
CID 84802259
5-[1-(aminomethyl)cyclopropyl]-2,3-difluorobenzoic acid
CID 117326286
4-[1-(aminomethyl)cyclopentyl]-2,6-difluorobenzoic acid
CID 117390771
6-[1-(aminomethyl)cyclopropyl]-2,3,4-trifluorophenol
CID 84785078
[1-(3,5-difluoro-4-methylphenyl)cyclohexyl]methanamine
CID 117351218
4-[1-(aminomethyl)cyclohexyl]-2,6-difluorobenzoic acid
CID 117426291
[1-(3-fluoro-5-methoxy-4-methylphenyl)cyclopropyl]methanamine
CID 117298894

Frequently Asked Questions

What is the IUPAC name of 5-[1-(aminomethyl)cyclopropyl]-3-fluorobenzene-1,2-diol?
The IUPAC name of 5-[1-(aminomethyl)cyclopropyl]-3-fluorobenzene-1,2-diol (CID 117286781) is 5-[1-(aminomethyl)cyclopropyl]-3-fluorobenzene-1,2-diol.
What is the SMILES notation for 5-[1-(aminomethyl)cyclopropyl]-3-fluorobenzene-1,2-diol?
The canonical SMILES for 5-[1-(aminomethyl)cyclopropyl]-3-fluorobenzene-1,2-diol is NCC1(c2cc(O)c(O)c(F)c2)CC1.
What is the InChIKey of 5-[1-(aminomethyl)cyclopropyl]-3-fluorobenzene-1,2-diol?
The InChIKey is OILIGNFSLXXDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO2/c11-7-3-6(4-8(13)9(7)14)10(5-12)1-2-10/h3-4,13-14H,1-2,5,12H2.
What are the key properties of 5-[1-(aminomethyl)cyclopropyl]-3-fluorobenzene-1,2-diol?
5-[1-(aminomethyl)cyclopropyl]-3-fluorobenzene-1,2-diol has a molecular weight of 197.21 g/mol, XLogP of 1.23, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(aminomethyl)cyclopropyl]-3-fluorobenzene-1,2-diol is sourced from PubChem (CID 117286781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).