4,4,4-trifluoro-N-(4-methoxybutan-2-yl)butan-2-amine

C9H18F3NO — CID 103780265

IUPAC4,4,4-trifluoro-N-(4-methoxybutan-2-yl)butan-2-amine
SMILESCOCCC(C)NC(C)CC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-7(4-5-14-3)13-8(2)6-9(10,11)12/h7-8,13H,4-6H2,1-3H3
InChIKeyNBVTUPXOJNVYLI-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.34
Rot. Bonds6

About 4,4,4-trifluoro-N-(4-methoxybutan-2-yl)butan-2-amine

4,4,4-trifluoro-N-(4-methoxybutan-2-yl)butan-2-amine (PubChem CID 103780265) has the molecular formula C9H18F3NO and a molecular weight of 213.24 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-(4-methoxybutan-2-yl)butan-2-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-N-(4-methoxybutan-2-yl)butan-2-amine
PubChem CID103780265
Molecular FormulaC9H18F3NO
Molecular Weight213.24 g/mol
Exact Mass213.13
IUPAC Name4,4,4-trifluoro-N-(4-methoxybutan-2-yl)butan-2-amine
SMILESCOCCC(C)NC(C)CC(F)(F)F
InChIInChI=1S/C9H18F3NO/c1-7(4-5-14-3)13-8(2)6-9(10,11)12/h7-8,13H,4-6H2,1-3H3
InChIKeyNBVTUPXOJNVYLI-UHFFFAOYSA-N
XLogP2.34
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methoxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 43153293
N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491037
3-propan-2-yloxy-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 82670782
N-(2,2-difluoroethyl)-3-methoxy-2,2-dimethylpropan-1-amine
CID 88936095
3-methoxy-2,2-dimethyl-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 88936096
3-(difluoromethoxy)-N-propan-2-ylpropan-1-amine
CID 114782799
3-(difluoromethoxy)-N-ethylpropan-1-amine
CID 122696157
[2,2-Difluoro-3-(propan-2-yloxy)propyl](ethyl)amine
CID 134579334
[3-(Tert-butoxy)-2,2-difluoropropyl](propan-2-yl)amine
CID 135173990
(2,2-Difluoro-3-methoxypropyl)(ethyl)amine
CID 135175198
N-(2,2,2-trifluoro-1-methoxyethyl)propan-2-amine
CID 140129738
4,4,4-trifluoro-N-[(2S)-1-methoxypropan-2-yl]butan-1-amine
CID 144800484

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-(4-methoxybutan-2-yl)butan-2-amine?
The IUPAC name of 4,4,4-trifluoro-N-(4-methoxybutan-2-yl)butan-2-amine (CID 103780265) is 4,4,4-trifluoro-N-(4-methoxybutan-2-yl)butan-2-amine.
What is the SMILES notation for 4,4,4-trifluoro-N-(4-methoxybutan-2-yl)butan-2-amine?
The canonical SMILES for 4,4,4-trifluoro-N-(4-methoxybutan-2-yl)butan-2-amine is COCCC(C)NC(C)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-N-(4-methoxybutan-2-yl)butan-2-amine?
The InChIKey is NBVTUPXOJNVYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO/c1-7(4-5-14-3)13-8(2)6-9(10,11)12/h7-8,13H,4-6H2,1-3H3.
What are the key properties of 4,4,4-trifluoro-N-(4-methoxybutan-2-yl)butan-2-amine?
4,4,4-trifluoro-N-(4-methoxybutan-2-yl)butan-2-amine has a molecular weight of 213.24 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-(4-methoxybutan-2-yl)butan-2-amine is sourced from PubChem (CID 103780265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).