N-(3,3-difluoropropyl)-3-methyl-N-prop-1-en-2-ylbutan-1-amine

C11H21F2N — CID 166105305

IUPACN-(3,3-difluoropropyl)-3-methyl-N-prop-1-en-2-ylbutan-1-amine
SMILESC=C(C)N(CCC(C)C)CCC(F)F
InChIInChI=1S/C11H21F2N/c1-9(2)5-7-14(10(3)4)8-6-11(12)13/h9,11H,3,5-8H2,1-2,4H3
InChIKeyAYNWSIAKWGTRLT-UHFFFAOYSA-N
MW205.29 g/mol
LogP3.52
Rot. Bonds7

About N-(3,3-difluoropropyl)-3-methyl-N-prop-1-en-2-ylbutan-1-amine

N-(3,3-difluoropropyl)-3-methyl-N-prop-1-en-2-ylbutan-1-amine (PubChem CID 166105305) has the molecular formula C11H21F2N and a molecular weight of 205.29 g/mol. Its IUPAC name is N-(3,3-difluoropropyl)-3-methyl-N-prop-1-en-2-ylbutan-1-amine.

Molecular Properties

Compound NameN-(3,3-difluoropropyl)-3-methyl-N-prop-1-en-2-ylbutan-1-amine
PubChem CID166105305
Molecular FormulaC11H21F2N
Molecular Weight205.29 g/mol
Exact Mass205.16
IUPAC NameN-(3,3-difluoropropyl)-3-methyl-N-prop-1-en-2-ylbutan-1-amine
SMILESC=C(C)N(CCC(C)C)CCC(F)F
InChIInChI=1S/C11H21F2N/c1-9(2)5-7-14(10(3)4)8-6-11(12)13/h9,11H,3,5-8H2,1-2,4H3
InChIKeyAYNWSIAKWGTRLT-UHFFFAOYSA-N
XLogP3.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.29
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoropropyl)-3-methyl-N-prop-1-en-2-ylbutan-1-amine?
The IUPAC name of N-(3,3-difluoropropyl)-3-methyl-N-prop-1-en-2-ylbutan-1-amine (CID 166105305) is N-(3,3-difluoropropyl)-3-methyl-N-prop-1-en-2-ylbutan-1-amine.
What is the SMILES notation for N-(3,3-difluoropropyl)-3-methyl-N-prop-1-en-2-ylbutan-1-amine?
The canonical SMILES for N-(3,3-difluoropropyl)-3-methyl-N-prop-1-en-2-ylbutan-1-amine is C=C(C)N(CCC(C)C)CCC(F)F.
What is the InChIKey of N-(3,3-difluoropropyl)-3-methyl-N-prop-1-en-2-ylbutan-1-amine?
The InChIKey is AYNWSIAKWGTRLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2N/c1-9(2)5-7-14(10(3)4)8-6-11(12)13/h9,11H,3,5-8H2,1-2,4H3.
What are the key properties of N-(3,3-difluoropropyl)-3-methyl-N-prop-1-en-2-ylbutan-1-amine?
N-(3,3-difluoropropyl)-3-methyl-N-prop-1-en-2-ylbutan-1-amine has a molecular weight of 205.29 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoropropyl)-3-methyl-N-prop-1-en-2-ylbutan-1-amine is sourced from PubChem (CID 166105305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).