3-fluoro-N,N-dimethylaniline;methane

C9H14FN — CID 157466440

IUPAC3-fluoro-N,N-dimethylaniline;methane
SMILESC.CN(C)c1cccc(F)c1
InChIInChI=1S/C8H10FN.CH4/c1-10(2)8-5-3-4-7(9)6-8;/h3-6H,1-2H3;1H4
InChIKeyBUNNLCLWCRTCCE-UHFFFAOYSA-N
MW155.22 g/mol
LogP2.53
Rot. Bonds1

About 3-fluoro-N,N-dimethylaniline;methane

3-fluoro-N,N-dimethylaniline;methane (PubChem CID 157466440) has the molecular formula C9H14FN and a molecular weight of 155.22 g/mol. Its IUPAC name is 3-fluoro-N,N-dimethylaniline;methane.

Molecular Properties

Compound Name3-fluoro-N,N-dimethylaniline;methane
PubChem CID157466440
Molecular FormulaC9H14FN
Molecular Weight155.22 g/mol
Exact Mass155.11
IUPAC Name3-fluoro-N,N-dimethylaniline;methane
SMILESC.CN(C)c1cccc(F)c1
InChIInChI=1S/C8H10FN.CH4/c1-10(2)8-5-3-4-7(9)6-8;/h3-6H,1-2H3;1H4
InChIKeyBUNNLCLWCRTCCE-UHFFFAOYSA-N
XLogP2.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.22
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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N-(3-fluorophenyl)-N-methylnitramide
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1-N-(2,5-difluorophenyl)-3-N,3-N-dimethylbenzene-1,3-diamine
CID 82536794
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CID 138691650
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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N,N-dimethylaniline;methane?
The IUPAC name of 3-fluoro-N,N-dimethylaniline;methane (CID 157466440) is 3-fluoro-N,N-dimethylaniline;methane.
What is the SMILES notation for 3-fluoro-N,N-dimethylaniline;methane?
The canonical SMILES for 3-fluoro-N,N-dimethylaniline;methane is C.CN(C)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N,N-dimethylaniline;methane?
The InChIKey is BUNNLCLWCRTCCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN.CH4/c1-10(2)8-5-3-4-7(9)6-8;/h3-6H,1-2H3;1H4.
What are the key properties of 3-fluoro-N,N-dimethylaniline;methane?
3-fluoro-N,N-dimethylaniline;methane has a molecular weight of 155.22 g/mol, XLogP of 2.53, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N,N-dimethylaniline;methane is sourced from PubChem (CID 157466440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).