3-fluoro-2-hexoxyaniline

C12H18FNO — CID 104831272

IUPAC3-fluoro-2-hexoxyaniline
SMILESCCCCCCOc1c(N)cccc1F
InChIInChI=1S/C12H18FNO/c1-2-3-4-5-9-15-12-10(13)7-6-8-11(12)14/h6-8H,2-5,9,14H2,1H3
InChIKeyKARDATJHDPTREE-UHFFFAOYSA-N
MW211.28 g/mol
LogP3.37
Rot. Bonds6

About 3-fluoro-2-hexoxyaniline

3-fluoro-2-hexoxyaniline (PubChem CID 104831272) has the molecular formula C12H18FNO and a molecular weight of 211.28 g/mol. Its IUPAC name is 3-fluoro-2-hexoxyaniline.

Molecular Properties

Compound Name3-fluoro-2-hexoxyaniline
PubChem CID104831272
Molecular FormulaC12H18FNO
Molecular Weight211.28 g/mol
Exact Mass211.14
IUPAC Name3-fluoro-2-hexoxyaniline
SMILESCCCCCCOc1c(N)cccc1F
InChIInChI=1S/C12H18FNO/c1-2-3-4-5-9-15-12-10(13)7-6-8-11(12)14/h6-8H,2-5,9,14H2,1H3
InChIKeyKARDATJHDPTREE-UHFFFAOYSA-N
XLogP3.37
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

2-(3-fluoro-2-pentoxyphenyl)ethanamine
CID 112615154
(3-fluoro-2-heptoxyphenyl)methanol
CID 112612964
1-(chloromethyl)-3-fluoro-2-nonoxybenzene
CID 112613670
1-(chloromethyl)-3-fluoro-2-octoxybenzene
CID 112613575
1-(3-fluoro-2-octoxyphenyl)propan-2-amine
CID 115958573
1-dodecoxy-2,3-difluorobenzene
CID 15854521
3-amino-2-nonoxybenzamide
CID 107873437
1,2,3-tridodecoxybenzene
CID 11308140
6-(2,6-difluorophenoxy)hexan-1-amine
CID 68648906
1,2,3-trihexadecoxybenzene
CID 15518170
2,3,5-trifluoro-4-hexoxyaniline
CID 118474907
3-fluoro-2-(3-methoxy-3-methylbutoxy)aniline
CID 103032548

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-hexoxyaniline?
The IUPAC name of 3-fluoro-2-hexoxyaniline (CID 104831272) is 3-fluoro-2-hexoxyaniline.
What is the SMILES notation for 3-fluoro-2-hexoxyaniline?
The canonical SMILES for 3-fluoro-2-hexoxyaniline is CCCCCCOc1c(N)cccc1F.
What is the InChIKey of 3-fluoro-2-hexoxyaniline?
The InChIKey is KARDATJHDPTREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO/c1-2-3-4-5-9-15-12-10(13)7-6-8-11(12)14/h6-8H,2-5,9,14H2,1H3.
What are the key properties of 3-fluoro-2-hexoxyaniline?
3-fluoro-2-hexoxyaniline has a molecular weight of 211.28 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-hexoxyaniline is sourced from PubChem (CID 104831272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).