ethane;4,4,4-trifluoro-N-methyl-N-(2-methylprop-2-enyl)butan-1-amine

C11H22F3N — CID 144800520

IUPACethane;4,4,4-trifluoro-N-methyl-N-(2-methylprop-2-enyl)butan-1-amine
SMILESC=C(C)CN(C)CCCC(F)(F)F.CC
InChIInChI=1S/C9H16F3N.C2H6/c1-8(2)7-13(3)6-4-5-9(10,11)12;1-2/h1,4-7H2,2-3H3;1-2H3
InChIKeyLHGCCFVDCDLODM-UHFFFAOYSA-N
MW225.30 g/mol
LogP3.86
Rot. Bonds5

About ethane;4,4,4-trifluoro-N-methyl-N-(2-methylprop-2-enyl)butan-1-amine

ethane;4,4,4-trifluoro-N-methyl-N-(2-methylprop-2-enyl)butan-1-amine (PubChem CID 144800520) has the molecular formula C11H22F3N and a molecular weight of 225.30 g/mol. Its IUPAC name is ethane;4,4,4-trifluoro-N-methyl-N-(2-methylprop-2-enyl)butan-1-amine.

Molecular Properties

Compound Nameethane;4,4,4-trifluoro-N-methyl-N-(2-methylprop-2-enyl)butan-1-amine
PubChem CID144800520
Molecular FormulaC11H22F3N
Molecular Weight225.30 g/mol
Exact Mass225.17
IUPAC Nameethane;4,4,4-trifluoro-N-methyl-N-(2-methylprop-2-enyl)butan-1-amine
SMILESC=C(C)CN(C)CCCC(F)(F)F.CC
InChIInChI=1S/C9H16F3N.C2H6/c1-8(2)7-13(3)6-4-5-9(10,11)12;1-2/h1,4-7H2,2-3H3;1-2H3
InChIKeyLHGCCFVDCDLODM-UHFFFAOYSA-N
XLogP3.86
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.30
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-Diethylaminoheptafluoroisobutylene
CID 129807003
4,4,4-trifluoro-N-methyl-N-(2-methylprop-2-enyl)butan-1-amine
CID 117937216
4,4,4-trifluoro-N-(2-methylprop-2-enyl)-N-propan-2-ylbutan-1-amine
CID 121474445
1-fluoro-N,N-dimethyl-2-(trifluoromethyl)prop-2-en-1-amine
CID 129207809
N-tert-butyl-2-(difluoromethyl)-N-methylprop-2-en-1-amine
CID 139334921
N,3-dimethyl-N-(3,3,3-trifluoropropyl)but-2-en-1-amine
CID 144221055
N-methyl-3-methylidene-N-(2,2,2-trifluoroethyl)pentan-1-amine
CID 146267020
3-Methyl-1-(3,3,3-trifluoropropyl)-2,5-dihydropyrrole
CID 155775201
N-(2,2-difluoroethyl)-N,3-dimethylbut-3-en-1-amine
CID 166140934
(2E,4Z)-N-(2,2-difluorobutyl)-N,2-dimethylhepta-2,4,6-trien-1-amine
CID 166795971
4-fluoro-N-methyl-2-methylidene-N-propylbutan-1-amine
CID 169605942
N,N-dimethyl-2-(trifluoromethyl)prop-2-en-1-amine
CID 22002036

Frequently Asked Questions

What is the IUPAC name of ethane;4,4,4-trifluoro-N-methyl-N-(2-methylprop-2-enyl)butan-1-amine?
The IUPAC name of ethane;4,4,4-trifluoro-N-methyl-N-(2-methylprop-2-enyl)butan-1-amine (CID 144800520) is ethane;4,4,4-trifluoro-N-methyl-N-(2-methylprop-2-enyl)butan-1-amine.
What is the SMILES notation for ethane;4,4,4-trifluoro-N-methyl-N-(2-methylprop-2-enyl)butan-1-amine?
The canonical SMILES for ethane;4,4,4-trifluoro-N-methyl-N-(2-methylprop-2-enyl)butan-1-amine is C=C(C)CN(C)CCCC(F)(F)F.CC.
What is the InChIKey of ethane;4,4,4-trifluoro-N-methyl-N-(2-methylprop-2-enyl)butan-1-amine?
The InChIKey is LHGCCFVDCDLODM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3N.C2H6/c1-8(2)7-13(3)6-4-5-9(10,11)12;1-2/h1,4-7H2,2-3H3;1-2H3.
What are the key properties of ethane;4,4,4-trifluoro-N-methyl-N-(2-methylprop-2-enyl)butan-1-amine?
ethane;4,4,4-trifluoro-N-methyl-N-(2-methylprop-2-enyl)butan-1-amine has a molecular weight of 225.30 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4,4,4-trifluoro-N-methyl-N-(2-methylprop-2-enyl)butan-1-amine is sourced from PubChem (CID 144800520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).