N,N-diethyl-1,1-difluoropent-1-en-2-amine

C9H17F2N — CID 15306690

IUPACN,N-diethyl-1,1-difluoropent-1-en-2-amine
SMILESCCCC(=C(F)F)N(CC)CC
InChIInChI=1S/C9H17F2N/c1-4-7-8(9(10)11)12(5-2)6-3/h4-7H2,1-3H3
InChIKeyJILGBSSXXHSISQ-UHFFFAOYSA-N
MW177.24 g/mol
LogP3.24
Rot. Bonds5

About N,N-diethyl-1,1-difluoropent-1-en-2-amine

N,N-diethyl-1,1-difluoropent-1-en-2-amine (PubChem CID 15306690) has the molecular formula C9H17F2N and a molecular weight of 177.24 g/mol. Its IUPAC name is N,N-diethyl-1,1-difluoropent-1-en-2-amine.

Molecular Properties

Compound NameN,N-diethyl-1,1-difluoropent-1-en-2-amine
PubChem CID15306690
Molecular FormulaC9H17F2N
Molecular Weight177.24 g/mol
Exact Mass177.13
IUPAC NameN,N-diethyl-1,1-difluoropent-1-en-2-amine
SMILESCCCC(=C(F)F)N(CC)CC
InChIInChI=1S/C9H17F2N/c1-4-7-8(9(10)11)12(5-2)6-3/h4-7H2,1-3H3
InChIKeyJILGBSSXXHSISQ-UHFFFAOYSA-N
XLogP3.24
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.24
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1,1-difluoropent-1-en-2-amine?
The IUPAC name of N,N-diethyl-1,1-difluoropent-1-en-2-amine (CID 15306690) is N,N-diethyl-1,1-difluoropent-1-en-2-amine.
What is the SMILES notation for N,N-diethyl-1,1-difluoropent-1-en-2-amine?
The canonical SMILES for N,N-diethyl-1,1-difluoropent-1-en-2-amine is CCCC(=C(F)F)N(CC)CC.
What is the InChIKey of N,N-diethyl-1,1-difluoropent-1-en-2-amine?
The InChIKey is JILGBSSXXHSISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2N/c1-4-7-8(9(10)11)12(5-2)6-3/h4-7H2,1-3H3.
What are the key properties of N,N-diethyl-1,1-difluoropent-1-en-2-amine?
N,N-diethyl-1,1-difluoropent-1-en-2-amine has a molecular weight of 177.24 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1,1-difluoropent-1-en-2-amine is sourced from PubChem (CID 15306690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).