3-fluoro-2-N-methyl-2-N-prop-2-ynylbenzene-1,2-diamine

C10H11FN2 — CID 130949216

IUPAC3-fluoro-2-N-methyl-2-N-prop-2-ynylbenzene-1,2-diamine
SMILESC#CCN(C)c1c(N)cccc1F
InChIInChI=1S/C10H11FN2/c1-3-7-13(2)10-8(11)5-4-6-9(10)12/h1,4-6H,7,12H2,2H3
InChIKeyZEWLFSRBOVWTGR-UHFFFAOYSA-N
MW178.21 g/mol
LogP1.48
Rot. Bonds2

About 3-fluoro-2-N-methyl-2-N-prop-2-ynylbenzene-1,2-diamine

3-fluoro-2-N-methyl-2-N-prop-2-ynylbenzene-1,2-diamine (PubChem CID 130949216) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is 3-fluoro-2-N-methyl-2-N-prop-2-ynylbenzene-1,2-diamine.

Molecular Properties

Compound Name3-fluoro-2-N-methyl-2-N-prop-2-ynylbenzene-1,2-diamine
PubChem CID130949216
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC Name3-fluoro-2-N-methyl-2-N-prop-2-ynylbenzene-1,2-diamine
SMILESC#CCN(C)c1c(N)cccc1F
InChIInChI=1S/C10H11FN2/c1-3-7-13(2)10-8(11)5-4-6-9(10)12/h1,4-6H,7,12H2,2H3
InChIKeyZEWLFSRBOVWTGR-UHFFFAOYSA-N
XLogP1.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N-(2-cyclopentylethyl)-3-fluoro-2-N-methylbenzene-1,2-diamine
CID 115125891
2-N-[(5-bromo-2-fluorophenyl)methyl]-3-fluoro-2-N-methylbenzene-1,2-diamine
CID 115125806
3-N-methyl-3-N-prop-2-ynylbenzene-1,3-diamine
CID 130948301
5-fluoro-2-N-methyl-2-N-prop-2-ynylpyrimidine-2,4-diamine
CID 130593710
2-N-ethyl-3-fluoro-2-N-methoxybenzene-1,2-diamine
CID 130526445
3-fluoro-2-N-methyl-2-N-(1H-pyrrol-3-yl)benzene-1,2-diamine
CID 115125688
3-methyl-2-[methyl(prop-2-ynyl)amino]benzonitrile
CID 107107122
3-fluoro-2-N-methyl-2-N-(5-methylfuran-2-yl)benzene-1,2-diamine
CID 115125708
azane;2-ethyl-3-fluoroaniline
CID 68647628
N'-(2-fluoro-6-methylphenyl)-N'-methylmethanediamine
CID 139317380
4-chloro-N-methyl-N-prop-2-ynylaniline
CID 86098080
N'-[(2-amino-6-fluorophenyl)methyl]-N,N-dimethyl-N'-propylethane-1,2-diamine
CID 63331189

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-N-methyl-2-N-prop-2-ynylbenzene-1,2-diamine?
The IUPAC name of 3-fluoro-2-N-methyl-2-N-prop-2-ynylbenzene-1,2-diamine (CID 130949216) is 3-fluoro-2-N-methyl-2-N-prop-2-ynylbenzene-1,2-diamine.
What is the SMILES notation for 3-fluoro-2-N-methyl-2-N-prop-2-ynylbenzene-1,2-diamine?
The canonical SMILES for 3-fluoro-2-N-methyl-2-N-prop-2-ynylbenzene-1,2-diamine is C#CCN(C)c1c(N)cccc1F.
What is the InChIKey of 3-fluoro-2-N-methyl-2-N-prop-2-ynylbenzene-1,2-diamine?
The InChIKey is ZEWLFSRBOVWTGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2/c1-3-7-13(2)10-8(11)5-4-6-9(10)12/h1,4-6H,7,12H2,2H3.
What are the key properties of 3-fluoro-2-N-methyl-2-N-prop-2-ynylbenzene-1,2-diamine?
3-fluoro-2-N-methyl-2-N-prop-2-ynylbenzene-1,2-diamine has a molecular weight of 178.21 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-N-methyl-2-N-prop-2-ynylbenzene-1,2-diamine is sourced from PubChem (CID 130949216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).