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

C8H16F3N — CID 115257908

IUPACN,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine
SMILESCC(C)CCN(C)CC(F)(F)F
InChIInChI=1S/C8H16F3N/c1-7(2)4-5-12(3)6-8(9,10)11/h7H,4-6H2,1-3H3
InChIKeySMCDTKLAYHXNBL-UHFFFAOYSA-N
MW183.22 g/mol
LogP2.53
Rot. Bonds4

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

N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine (PubChem CID 115257908) has the molecular formula C8H16F3N and a molecular weight of 183.22 g/mol. Its IUPAC name is N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine.

Molecular Properties

Compound NameN,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine
PubChem CID115257908
Molecular FormulaC8H16F3N
Molecular Weight183.22 g/mol
Exact Mass183.12
IUPAC NameN,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine
SMILESCC(C)CCN(C)CC(F)(F)F
InChIInChI=1S/C8H16F3N/c1-7(2)4-5-12(3)6-8(9,10)11/h7H,4-6H2,1-3H3
InChIKeySMCDTKLAYHXNBL-UHFFFAOYSA-N
XLogP2.53
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(3-methylbutyl)diethylamine
CID 199672
N-butyl-N-(2,2,3,3,3-pentafluoropropyl)butan-1-amine
CID 11276983
N-Isobutyl-2-methyl-N-(trifluoromethyl)-1-propanamine
CID 15105667
N,N-diethyl-1,1-difluoro-2,2-dimethylpropan-1-amine
CID 9989828
Dibutyl(2,2,2-trifluoroethyl)amine
CID 13510101
N,N-Dibutyl-N-(difluoromethyl)butan-1-aminium chloride
CID 24750688
Pentafluorotributylamine
CID 129731872
N-methyl-N-(3-methylbutyl)-1-propanamine
CID 59962235
(2-methylbutyl)-N,N'-diethylamine
CID 13315691
Isoamyldibutylamine
CID 20558830
Nona-fluorotributylamine
CID 86154332
1,1-difluoro-2-methyl-N,N-di(propan-2-yl)propan-1-amine
CID 135082782

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine?
The IUPAC name of N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine (CID 115257908) is N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine.
What is the SMILES notation for N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine?
The canonical SMILES for N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine is CC(C)CCN(C)CC(F)(F)F.
What is the InChIKey of N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine?
The InChIKey is SMCDTKLAYHXNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F3N/c1-7(2)4-5-12(3)6-8(9,10)11/h7H,4-6H2,1-3H3.
What are the key properties of N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine?
N,3-dimethyl-N-(2,2,2-trifluoroethyl)butan-1-amine has a molecular weight of 183.22 g/mol, XLogP of 2.53, 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 is sourced from PubChem (CID 115257908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).