2-fluoro-N,N-di(propan-2-yl)aniline

C12H18FN — CID 67920255

IUPAC2-fluoro-N,N-di(propan-2-yl)aniline
SMILESCC(C)N(c1ccccc1F)C(C)C
InChIInChI=1S/C12H18FN/c1-9(2)14(10(3)4)12-8-6-5-7-11(12)13/h5-10H,1-4H3
InChIKeyUBKYZLBHEVUCJB-UHFFFAOYSA-N
MW195.28 g/mol
LogP3.45
Rot. Bonds3

About 2-fluoro-N,N-di(propan-2-yl)aniline

2-fluoro-N,N-di(propan-2-yl)aniline (PubChem CID 67920255) has the molecular formula C12H18FN and a molecular weight of 195.28 g/mol. Its IUPAC name is 2-fluoro-N,N-di(propan-2-yl)aniline.

Molecular Properties

Compound Name2-fluoro-N,N-di(propan-2-yl)aniline
PubChem CID67920255
Molecular FormulaC12H18FN
Molecular Weight195.28 g/mol
Exact Mass195.14
IUPAC Name2-fluoro-N,N-di(propan-2-yl)aniline
SMILESCC(C)N(c1ccccc1F)C(C)C
InChIInChI=1S/C12H18FN/c1-9(2)14(10(3)4)12-8-6-5-7-11(12)13/h5-10H,1-4H3
InChIKeyUBKYZLBHEVUCJB-UHFFFAOYSA-N
XLogP3.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N,N-di(propan-2-yl)aniline?
The IUPAC name of 2-fluoro-N,N-di(propan-2-yl)aniline (CID 67920255) is 2-fluoro-N,N-di(propan-2-yl)aniline.
What is the SMILES notation for 2-fluoro-N,N-di(propan-2-yl)aniline?
The canonical SMILES for 2-fluoro-N,N-di(propan-2-yl)aniline is CC(C)N(c1ccccc1F)C(C)C.
What is the InChIKey of 2-fluoro-N,N-di(propan-2-yl)aniline?
The InChIKey is UBKYZLBHEVUCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FN/c1-9(2)14(10(3)4)12-8-6-5-7-11(12)13/h5-10H,1-4H3.
What are the key properties of 2-fluoro-N,N-di(propan-2-yl)aniline?
2-fluoro-N,N-di(propan-2-yl)aniline has a molecular weight of 195.28 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N,N-di(propan-2-yl)aniline is sourced from PubChem (CID 67920255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).