(Z)-N,2-dimethyl-N-(4,4,4-trifluorobutyl)but-1-en-1-amine

C10H18F3N — CID 156509220

IUPAC(Z)-N,2-dimethyl-N-(4,4,4-trifluorobutyl)but-1-en-1-amine
SMILESCC/C(C)=C\N(C)CCCC(F)(F)F
InChIInChI=1S/C10H18F3N/c1-4-9(2)8-14(3)7-5-6-10(11,12)13/h8H,4-7H2,1-3H3/b9-8-
InChIKeyFQUIXFMQTMCDDX-HJWRWDBZSA-N
MW209.25 g/mol
LogP3.57
Rot. Bonds5

About (Z)-N,2-dimethyl-N-(4,4,4-trifluorobutyl)but-1-en-1-amine

(Z)-N,2-dimethyl-N-(4,4,4-trifluorobutyl)but-1-en-1-amine (PubChem CID 156509220) has the molecular formula C10H18F3N and a molecular weight of 209.25 g/mol. Its IUPAC name is (Z)-N,2-dimethyl-N-(4,4,4-trifluorobutyl)but-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N,2-dimethyl-N-(4,4,4-trifluorobutyl)but-1-en-1-amine
PubChem CID156509220
Molecular FormulaC10H18F3N
Molecular Weight209.25 g/mol
Exact Mass209.14
IUPAC Name(Z)-N,2-dimethyl-N-(4,4,4-trifluorobutyl)but-1-en-1-amine
SMILESCC/C(C)=C\N(C)CCCC(F)(F)F
InChIInChI=1S/C10H18F3N/c1-4-9(2)8-14(3)7-5-6-10(11,12)13/h8H,4-7H2,1-3H3/b9-8-
InChIKeyFQUIXFMQTMCDDX-HJWRWDBZSA-N
XLogP3.57
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,2-dimethyl-N-(4,4,4-trifluorobutyl)but-1-en-1-amine?
The IUPAC name of (Z)-N,2-dimethyl-N-(4,4,4-trifluorobutyl)but-1-en-1-amine (CID 156509220) is (Z)-N,2-dimethyl-N-(4,4,4-trifluorobutyl)but-1-en-1-amine.
What is the SMILES notation for (Z)-N,2-dimethyl-N-(4,4,4-trifluorobutyl)but-1-en-1-amine?
The canonical SMILES for (Z)-N,2-dimethyl-N-(4,4,4-trifluorobutyl)but-1-en-1-amine is CC/C(C)=C\N(C)CCCC(F)(F)F.
What is the InChIKey of (Z)-N,2-dimethyl-N-(4,4,4-trifluorobutyl)but-1-en-1-amine?
The InChIKey is FQUIXFMQTMCDDX-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H18F3N/c1-4-9(2)8-14(3)7-5-6-10(11,12)13/h8H,4-7H2,1-3H3/b9-8-.
What are the key properties of (Z)-N,2-dimethyl-N-(4,4,4-trifluorobutyl)but-1-en-1-amine?
(Z)-N,2-dimethyl-N-(4,4,4-trifluorobutyl)but-1-en-1-amine has a molecular weight of 209.25 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,2-dimethyl-N-(4,4,4-trifluorobutyl)but-1-en-1-amine is sourced from PubChem (CID 156509220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).