2-fluoro-1-N-(oxolan-3-yl)benzene-1,4-diamine

C10H13FN2O — CID 80716587

IUPAC2-fluoro-1-N-(oxolan-3-yl)benzene-1,4-diamine
SMILESNc1ccc(NC2CCOC2)c(F)c1
InChIInChI=1S/C10H13FN2O/c11-9-5-7(12)1-2-10(9)13-8-3-4-14-6-8/h1-2,5,8,13H,3-4,6,12H2
InChIKeyZUBQCCGCQJQRIO-UHFFFAOYSA-N
MW196.23 g/mol
LogP1.61
Rot. Bonds2

About 2-fluoro-1-N-(oxolan-3-yl)benzene-1,4-diamine

2-fluoro-1-N-(oxolan-3-yl)benzene-1,4-diamine (PubChem CID 80716587) has the molecular formula C10H13FN2O and a molecular weight of 196.23 g/mol. Its IUPAC name is 2-fluoro-1-N-(oxolan-3-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name2-fluoro-1-N-(oxolan-3-yl)benzene-1,4-diamine
PubChem CID80716587
Molecular FormulaC10H13FN2O
Molecular Weight196.23 g/mol
Exact Mass196.10
IUPAC Name2-fluoro-1-N-(oxolan-3-yl)benzene-1,4-diamine
SMILESNc1ccc(NC2CCOC2)c(F)c1
InChIInChI=1S/C10H13FN2O/c11-9-5-7(12)1-2-10(9)13-8-3-4-14-6-8/h1-2,5,8,13H,3-4,6,12H2
InChIKeyZUBQCCGCQJQRIO-UHFFFAOYSA-N
XLogP1.61
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.23
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-(oxolan-3-ylamino)benzenecarbothioamide
CID 80712561
N-(2-fluorophenyl)oxolan-3-amine
CID 63332099
N-(2-bromo-4-fluorophenyl)oxolan-3-amine
CID 63331950
N-(2-bromo-5-fluorophenyl)oxolan-3-amine
CID 107633205
2-amino-3-fluoro-6-(oxolan-3-ylamino)benzoic acid
CID 83205952
2-N-(oxolan-3-yl)pyridine-2,4-diamine
CID 80717438
N-(4-bromo-2,5-difluorophenyl)oxan-3-amine
CID 107609816
N-(5-bromo-2,4-difluorophenyl)oxan-3-amine
CID 102852792
2,3-difluoro-4-(oxolan-3-ylamino)benzenecarbothioamide
CID 114017848
3-fluoro-4-(oxan-4-ylamino)benzenecarbothioamide
CID 43657973
N-(4-amino-2-fluorophenyl)oxane-4-sulfonamide
CID 62048974
4-(4-amino-2-fluoroanilino)piperidine-1-carboxylic acid
CID 69030718

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-N-(oxolan-3-yl)benzene-1,4-diamine?
The IUPAC name of 2-fluoro-1-N-(oxolan-3-yl)benzene-1,4-diamine (CID 80716587) is 2-fluoro-1-N-(oxolan-3-yl)benzene-1,4-diamine.
What is the SMILES notation for 2-fluoro-1-N-(oxolan-3-yl)benzene-1,4-diamine?
The canonical SMILES for 2-fluoro-1-N-(oxolan-3-yl)benzene-1,4-diamine is Nc1ccc(NC2CCOC2)c(F)c1.
What is the InChIKey of 2-fluoro-1-N-(oxolan-3-yl)benzene-1,4-diamine?
The InChIKey is ZUBQCCGCQJQRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O/c11-9-5-7(12)1-2-10(9)13-8-3-4-14-6-8/h1-2,5,8,13H,3-4,6,12H2.
What are the key properties of 2-fluoro-1-N-(oxolan-3-yl)benzene-1,4-diamine?
2-fluoro-1-N-(oxolan-3-yl)benzene-1,4-diamine has a molecular weight of 196.23 g/mol, XLogP of 1.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-N-(oxolan-3-yl)benzene-1,4-diamine is sourced from PubChem (CID 80716587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).