ethane;4,4,4-trifluoro-N,2,3-trimethyl-N-(2-methylpropyl)butan-1-amine

C13H28F3N — CID 144800476

IUPACethane;4,4,4-trifluoro-N,2,3-trimethyl-N-(2-methylpropyl)butan-1-amine
SMILESCC.CC(C)CN(C)CC(C)C(C)C(F)(F)F
InChIInChI=1S/C11H22F3N.C2H6/c1-8(2)6-15(5)7-9(3)10(4)11(12,13)14;1-2/h8-10H,6-7H2,1-5H3;1-2H3
InChIKeyRKJHMZDWEUOJBT-UHFFFAOYSA-N
MW255.37 g/mol
LogP4.43
Rot. Bonds5

About ethane;4,4,4-trifluoro-N,2,3-trimethyl-N-(2-methylpropyl)butan-1-amine

ethane;4,4,4-trifluoro-N,2,3-trimethyl-N-(2-methylpropyl)butan-1-amine (PubChem CID 144800476) has the molecular formula C13H28F3N and a molecular weight of 255.37 g/mol. Its IUPAC name is ethane;4,4,4-trifluoro-N,2,3-trimethyl-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Nameethane;4,4,4-trifluoro-N,2,3-trimethyl-N-(2-methylpropyl)butan-1-amine
PubChem CID144800476
Molecular FormulaC13H28F3N
Molecular Weight255.37 g/mol
Exact Mass255.22
IUPAC Nameethane;4,4,4-trifluoro-N,2,3-trimethyl-N-(2-methylpropyl)butan-1-amine
SMILESCC.CC(C)CN(C)CC(C)C(C)C(F)(F)F
InChIInChI=1S/C11H22F3N.C2H6/c1-8(2)6-15(5)7-9(3)10(4)11(12,13)14;1-2/h8-10H,6-7H2,1-5H3;1-2H3
InChIKeyRKJHMZDWEUOJBT-UHFFFAOYSA-N
XLogP4.43
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.37
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-Isobutyl-2-methyl-N-(trifluoromethyl)-1-propanamine
CID 15105667
Dibutyl(2,2,2-trifluoroethyl)amine
CID 13510101
n,n-Diethyl-1,1-difluoro-2-methylpropan-1-amine
CID 10103496
N-butyl-N-(trifluoromethyl)butan-1-amine
CID 18356515
N,N-dibutyl-1-fluoro-2-methylpropan-1-amine
CID 20735606
N-(2,2-difluoroethyl)-N,3-dimethylbutan-1-amine
CID 20811852
N-(2-fluoroethyl)-N,3-dimethylbutan-1-amine
CID 20811853
N-butyl-4,4,4-trifluoro-N-methylbutan-1-amine
CID 20872958
N-butyl-N-(difluoromethyl)butan-1-amine
CID 23154529
(Difluoromethyl)tributylaminium
CID 24750689
N-ethyl-N-(4-fluorobutyl)-3-methylbutan-1-amine
CID 57118728
N-butyl-N-(1,1-difluoroethyl)butan-1-amine
CID 57486589

Frequently Asked Questions

What is the IUPAC name of ethane;4,4,4-trifluoro-N,2,3-trimethyl-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of ethane;4,4,4-trifluoro-N,2,3-trimethyl-N-(2-methylpropyl)butan-1-amine (CID 144800476) is ethane;4,4,4-trifluoro-N,2,3-trimethyl-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for ethane;4,4,4-trifluoro-N,2,3-trimethyl-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for ethane;4,4,4-trifluoro-N,2,3-trimethyl-N-(2-methylpropyl)butan-1-amine is CC.CC(C)CN(C)CC(C)C(C)C(F)(F)F.
What is the InChIKey of ethane;4,4,4-trifluoro-N,2,3-trimethyl-N-(2-methylpropyl)butan-1-amine?
The InChIKey is RKJHMZDWEUOJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N.C2H6/c1-8(2)6-15(5)7-9(3)10(4)11(12,13)14;1-2/h8-10H,6-7H2,1-5H3;1-2H3.
What are the key properties of ethane;4,4,4-trifluoro-N,2,3-trimethyl-N-(2-methylpropyl)butan-1-amine?
ethane;4,4,4-trifluoro-N,2,3-trimethyl-N-(2-methylpropyl)butan-1-amine has a molecular weight of 255.37 g/mol, XLogP of 4.43, 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,2,3-trimethyl-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 144800476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).