2-N-cyclopentyl-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine

C12H15F3N2O — CID 55215701

IUPAC2-N-cyclopentyl-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine
SMILESNc1cc(F)c(OC(F)F)cc1NC1CCCC1
InChIInChI=1S/C12H15F3N2O/c13-8-5-9(16)10(6-11(8)18-12(14)15)17-7-3-1-2-4-7/h5-7,12,17H,1-4,16H2
InChIKeyQGLYIAVZSVILKP-UHFFFAOYSA-N
MW260.26 g/mol
LogP3.36
Rot. Bonds4

About 2-N-cyclopentyl-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine

2-N-cyclopentyl-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine (PubChem CID 55215701) has the molecular formula C12H15F3N2O and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-N-cyclopentyl-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-cyclopentyl-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine
PubChem CID55215701
Molecular FormulaC12H15F3N2O
Molecular Weight260.26 g/mol
Exact Mass260.11
IUPAC Name2-N-cyclopentyl-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine
SMILESNc1cc(F)c(OC(F)F)cc1NC1CCCC1
InChIInChI=1S/C12H15F3N2O/c13-8-5-9(16)10(6-11(8)18-12(14)15)17-7-3-1-2-4-7/h5-7,12,17H,1-4,16H2
InChIKeyQGLYIAVZSVILKP-UHFFFAOYSA-N
XLogP3.36
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 53.36
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

4-methoxy-1-N-methylbenzene-1,2-diamine
CID 4518444
N-ethyl-3-(trifluoromethoxy)aniline
CID 15391832
5-methoxy-N1-methylbenzene-1,2-diamine
CID 12198276
3-methoxy-N-(propan-2-yl)aniline
CID 19084908
1-(3-(Trifluoromethoxy)phenyl)pyrrolidin-3-amine
CID 43315507
N1-ethyl-5-methoxybenzene-1,2-diamine
CID 67249952
7-Methoxy-1-methyl-1,2,3,4-tetrahydroquinoxaline
CID 79006725
N-((R)-1-Methyl-2,2,2-trifluoroethyl)-4-methoxyaniline
CID 122230441
6-Methoxy-1,2,3,4-tetrahydroquinoxaline
CID 12549514
1-(4-Fluoro-3-methoxyphenyl)piperazine
CID 44203034
1-[3-(Difluoromethoxy)phenyl]piperazine
CID 61675913
1-(2-Fluoro-3-methoxyphenyl)piperazine
CID 75481722

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopentyl-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine?
The IUPAC name of 2-N-cyclopentyl-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine (CID 55215701) is 2-N-cyclopentyl-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine.
What is the SMILES notation for 2-N-cyclopentyl-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine?
The canonical SMILES for 2-N-cyclopentyl-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine is Nc1cc(F)c(OC(F)F)cc1NC1CCCC1.
What is the InChIKey of 2-N-cyclopentyl-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine?
The InChIKey is QGLYIAVZSVILKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O/c13-8-5-9(16)10(6-11(8)18-12(14)15)17-7-3-1-2-4-7/h5-7,12,17H,1-4,16H2.
What are the key properties of 2-N-cyclopentyl-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine?
2-N-cyclopentyl-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine has a molecular weight of 260.26 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopentyl-4-(difluoromethoxy)-5-fluorobenzene-1,2-diamine is sourced from PubChem (CID 55215701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).