4-chloro-5-fluoro-6-pentoxybenzene-1,3-diamine

C11H16ClFN2O — CID 103553723

IUPAC4-chloro-5-fluoro-6-pentoxybenzene-1,3-diamine
SMILESCCCCCOc1c(N)cc(N)c(Cl)c1F
InChIInChI=1S/C11H16ClFN2O/c1-2-3-4-5-16-11-8(15)6-7(14)9(12)10(11)13/h6H,2-5,14-15H2,1H3
InChIKeyMFWPZZWFEXGRQW-UHFFFAOYSA-N
MW246.71 g/mol
LogP3.21
Rot. Bonds5

About 4-chloro-5-fluoro-6-pentoxybenzene-1,3-diamine

4-chloro-5-fluoro-6-pentoxybenzene-1,3-diamine (PubChem CID 103553723) has the molecular formula C11H16ClFN2O and a molecular weight of 246.71 g/mol. Its IUPAC name is 4-chloro-5-fluoro-6-pentoxybenzene-1,3-diamine.

Molecular Properties

Compound Name4-chloro-5-fluoro-6-pentoxybenzene-1,3-diamine
PubChem CID103553723
Molecular FormulaC11H16ClFN2O
Molecular Weight246.71 g/mol
Exact Mass246.09
IUPAC Name4-chloro-5-fluoro-6-pentoxybenzene-1,3-diamine
SMILESCCCCCOc1c(N)cc(N)c(Cl)c1F
InChIInChI=1S/C11H16ClFN2O/c1-2-3-4-5-16-11-8(15)6-7(14)9(12)10(11)13/h6H,2-5,14-15H2,1H3
InChIKeyMFWPZZWFEXGRQW-UHFFFAOYSA-N
XLogP3.21
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.71
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-5-fluoro-6-(2-propoxyethoxy)benzene-1,3-diamine
CID 103553765
3,5-dichloro-2-hexoxyaniline
CID 54853380
2,3,5-trifluoro-4-hexoxyaniline
CID 118474907
4-chloro-5-fluoro-6-pentylsulfanylbenzene-1,3-diamine
CID 107747792
1,2,3,4,5-pentachloro-6-octoxybenzene
CID 19820106
1,2,4,5-tetrafluoro-3-hexoxy-6-iodobenzene
CID 102045487
6,11,20,25,34,39-hexakis-decoxy-5,7,10,12,19,21,24,26,33,35,38,40-dodecafluorotridecacyclo[28.12.0.02,15.03,8.04,41.09,14.013,18.016,29.017,22.023,28.027,32.031,36.037,42]dotetraconta-1,3,5,7,9(14),10,12,15,17,19,21,23,25,27,29,31(36),32,34,37,39,41-henicosaene
CID 101373436
3,5-difluoro-4-hexoxybenzenethiol
CID 91657934
3-fluoro-2-hexoxyaniline
CID 104831272
1,3,5-trichloro-2-tetradecoxybenzene
CID 6429977
1,3,5-trichloro-2-octadecoxybenzene
CID 20520413
5-(chloromethyl)-2-heptoxy-1,3-dimethylbenzene
CID 43129659

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-fluoro-6-pentoxybenzene-1,3-diamine?
The IUPAC name of 4-chloro-5-fluoro-6-pentoxybenzene-1,3-diamine (CID 103553723) is 4-chloro-5-fluoro-6-pentoxybenzene-1,3-diamine.
What is the SMILES notation for 4-chloro-5-fluoro-6-pentoxybenzene-1,3-diamine?
The canonical SMILES for 4-chloro-5-fluoro-6-pentoxybenzene-1,3-diamine is CCCCCOc1c(N)cc(N)c(Cl)c1F.
What is the InChIKey of 4-chloro-5-fluoro-6-pentoxybenzene-1,3-diamine?
The InChIKey is MFWPZZWFEXGRQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClFN2O/c1-2-3-4-5-16-11-8(15)6-7(14)9(12)10(11)13/h6H,2-5,14-15H2,1H3.
What are the key properties of 4-chloro-5-fluoro-6-pentoxybenzene-1,3-diamine?
4-chloro-5-fluoro-6-pentoxybenzene-1,3-diamine has a molecular weight of 246.71 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-fluoro-6-pentoxybenzene-1,3-diamine is sourced from PubChem (CID 103553723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).