(2Z)-2-[[4-(difluoromethyl)phenyl]methylidene]-N-propan-2-ylbutan-1-amine

C15H21F2N — CID 113328651

IUPAC(2Z)-2-[[4-(difluoromethyl)phenyl]methylidene]-N-propan-2-ylbutan-1-amine
SMILESCC/C(=C/c1ccc(C(F)F)cc1)CNC(C)C
InChIInChI=1S/C15H21F2N/c1-4-12(10-18-11(2)3)9-13-5-7-14(8-6-13)15(16)17/h5-9,11,15,18H,4,10H2,1-3H3/b12-9-
InChIKeyYRPZPNCCQQOVNZ-XFXZXTDPSA-N
MW253.34 g/mol
LogP4.42
Rot. Bonds6

About (2Z)-2-[[4-(difluoromethyl)phenyl]methylidene]-N-propan-2-ylbutan-1-amine

(2Z)-2-[[4-(difluoromethyl)phenyl]methylidene]-N-propan-2-ylbutan-1-amine (PubChem CID 113328651) has the molecular formula C15H21F2N and a molecular weight of 253.34 g/mol. Its IUPAC name is (2Z)-2-[[4-(difluoromethyl)phenyl]methylidene]-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name(2Z)-2-[[4-(difluoromethyl)phenyl]methylidene]-N-propan-2-ylbutan-1-amine
PubChem CID113328651
Molecular FormulaC15H21F2N
Molecular Weight253.34 g/mol
Exact Mass253.16
IUPAC Name(2Z)-2-[[4-(difluoromethyl)phenyl]methylidene]-N-propan-2-ylbutan-1-amine
SMILESCC/C(=C/c1ccc(C(F)F)cc1)CNC(C)C
InChIInChI=1S/C15H21F2N/c1-4-12(10-18-11(2)3)9-13-5-7-14(8-6-13)15(16)17/h5-9,11,15,18H,4,10H2,1-3H3/b12-9-
InChIKeyYRPZPNCCQQOVNZ-XFXZXTDPSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.34
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-[[4-(difluoromethyl)phenyl]methylidene]-N-propan-2-ylbutan-1-amine?
The IUPAC name of (2Z)-2-[[4-(difluoromethyl)phenyl]methylidene]-N-propan-2-ylbutan-1-amine (CID 113328651) is (2Z)-2-[[4-(difluoromethyl)phenyl]methylidene]-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for (2Z)-2-[[4-(difluoromethyl)phenyl]methylidene]-N-propan-2-ylbutan-1-amine?
The canonical SMILES for (2Z)-2-[[4-(difluoromethyl)phenyl]methylidene]-N-propan-2-ylbutan-1-amine is CC/C(=C/c1ccc(C(F)F)cc1)CNC(C)C.
What is the InChIKey of (2Z)-2-[[4-(difluoromethyl)phenyl]methylidene]-N-propan-2-ylbutan-1-amine?
The InChIKey is YRPZPNCCQQOVNZ-XFXZXTDPSA-N. The full InChI is InChI=1S/C15H21F2N/c1-4-12(10-18-11(2)3)9-13-5-7-14(8-6-13)15(16)17/h5-9,11,15,18H,4,10H2,1-3H3/b12-9-.
What are the key properties of (2Z)-2-[[4-(difluoromethyl)phenyl]methylidene]-N-propan-2-ylbutan-1-amine?
(2Z)-2-[[4-(difluoromethyl)phenyl]methylidene]-N-propan-2-ylbutan-1-amine has a molecular weight of 253.34 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-[[4-(difluoromethyl)phenyl]methylidene]-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 113328651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).