N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine;ethane

C10H22F3N — CID 145124463

IUPACN,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine;ethane
SMILESCC.CC(C)CCN(C)CC(F)(F)F
InChIInChI=1S/C8H16F3N.C2H6/c1-7(2)4-5-12(3)6-8(9,10)11;1-2/h7H,4-6H2,1-3H3;1-2H3
InChIKeyGHPRNRAAZUDVQY-UHFFFAOYSA-N
MW213.29 g/mol
LogP3.55
Rot. Bonds4

About N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine;ethane

N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine;ethane (PubChem CID 145124463) has the molecular formula C10H22F3N and a molecular weight of 213.29 g/mol. Its IUPAC name is N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine;ethane.

Molecular Properties

Compound NameN,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine;ethane
PubChem CID145124463
Molecular FormulaC10H22F3N
Molecular Weight213.29 g/mol
Exact Mass213.17
IUPAC NameN,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine;ethane
SMILESCC.CC(C)CCN(C)CC(F)(F)F
InChIInChI=1S/C8H16F3N.C2H6/c1-7(2)4-5-12(3)6-8(9,10)11;1-2/h7H,4-6H2,1-3H3;1-2H3
InChIKeyGHPRNRAAZUDVQY-UHFFFAOYSA-N
XLogP3.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.29
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine;ethane?
The IUPAC name of N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine;ethane (CID 145124463) is N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine;ethane.
What is the SMILES notation for N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine;ethane?
The canonical SMILES for N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine;ethane is CC.CC(C)CCN(C)CC(F)(F)F.
What is the InChIKey of N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine;ethane?
The InChIKey is GHPRNRAAZUDVQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N.C2H6/c1-7(2)4-5-12(3)6-8(9,10)11;1-2/h7H,4-6H2,1-3H3;1-2H3.
What are the key properties of N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine;ethane?
N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine;ethane has a molecular weight of 213.29 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine;ethane is sourced from PubChem (CID 145124463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).