4-[4-(1,1-difluoropropyl)phenyl]-N-methylaniline

C16H17F2N — CID 116991923

IUPAC4-[4-(1,1-difluoropropyl)phenyl]-N-methylaniline
SMILESCCC(F)(F)c1ccc(-c2ccc(NC)cc2)cc1
InChIInChI=1S/C16H17F2N/c1-3-16(17,18)14-8-4-12(5-9-14)13-6-10-15(19-2)11-7-13/h4-11,19H,3H2,1-2H3
InChIKeyCXWSIDPZKGLHSO-UHFFFAOYSA-N
MW261.32 g/mol
LogP4.90
Rot. Bonds4

About 4-[4-(1,1-difluoropropyl)phenyl]-N-methylaniline

4-[4-(1,1-difluoropropyl)phenyl]-N-methylaniline (PubChem CID 116991923) has the molecular formula C16H17F2N and a molecular weight of 261.32 g/mol. Its IUPAC name is 4-[4-(1,1-difluoropropyl)phenyl]-N-methylaniline.

Molecular Properties

Compound Name4-[4-(1,1-difluoropropyl)phenyl]-N-methylaniline
PubChem CID116991923
Molecular FormulaC16H17F2N
Molecular Weight261.32 g/mol
Exact Mass261.13
IUPAC Name4-[4-(1,1-difluoropropyl)phenyl]-N-methylaniline
SMILESCCC(F)(F)c1ccc(-c2ccc(NC)cc2)cc1
InChIInChI=1S/C16H17F2N/c1-3-16(17,18)14-8-4-12(5-9-14)13-6-10-15(19-2)11-7-13/h4-11,19H,3H2,1-2H3
InChIKeyCXWSIDPZKGLHSO-UHFFFAOYSA-N
XLogP4.90
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1,1-difluoropropyl)phenyl]-N-methylaniline?
The IUPAC name of 4-[4-(1,1-difluoropropyl)phenyl]-N-methylaniline (CID 116991923) is 4-[4-(1,1-difluoropropyl)phenyl]-N-methylaniline.
What is the SMILES notation for 4-[4-(1,1-difluoropropyl)phenyl]-N-methylaniline?
The canonical SMILES for 4-[4-(1,1-difluoropropyl)phenyl]-N-methylaniline is CCC(F)(F)c1ccc(-c2ccc(NC)cc2)cc1.
What is the InChIKey of 4-[4-(1,1-difluoropropyl)phenyl]-N-methylaniline?
The InChIKey is CXWSIDPZKGLHSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N/c1-3-16(17,18)14-8-4-12(5-9-14)13-6-10-15(19-2)11-7-13/h4-11,19H,3H2,1-2H3.
What are the key properties of 4-[4-(1,1-difluoropropyl)phenyl]-N-methylaniline?
4-[4-(1,1-difluoropropyl)phenyl]-N-methylaniline has a molecular weight of 261.32 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1,1-difluoropropyl)phenyl]-N-methylaniline is sourced from PubChem (CID 116991923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).