3,3-dimethyl-1-(trifluoromethoxy)butan-2-amine

C7H14F3NO — CID 54594566

IUPAC3,3-dimethyl-1-(trifluoromethoxy)butan-2-amine
SMILESCC(C)(C)C(N)COC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-6(2,3)5(11)4-12-7(8,9)10/h5H,4,11H2,1-3H3
InChIKeyWMQCNSPADBNHFT-UHFFFAOYSA-N
MW185.19 g/mol
LogP1.90
Rot. Bonds2

About 3,3-dimethyl-1-(trifluoromethoxy)butan-2-amine

3,3-dimethyl-1-(trifluoromethoxy)butan-2-amine (PubChem CID 54594566) has the molecular formula C7H14F3NO and a molecular weight of 185.19 g/mol. Its IUPAC name is 3,3-dimethyl-1-(trifluoromethoxy)butan-2-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-(trifluoromethoxy)butan-2-amine
PubChem CID54594566
Molecular FormulaC7H14F3NO
Molecular Weight185.19 g/mol
Exact Mass185.10
IUPAC Name3,3-dimethyl-1-(trifluoromethoxy)butan-2-amine
SMILESCC(C)(C)C(N)COC(F)(F)F
InChIInChI=1S/C7H14F3NO/c1-6(2,3)5(11)4-12-7(8,9)10/h5H,4,11H2,1-3H3
InChIKeyWMQCNSPADBNHFT-UHFFFAOYSA-N
XLogP1.90
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Trifluoromethoxy)butan-2-amine hydrochloride
CID 135355061
1-(2,2,2-Trifluoroethoxy)butan-2-amine
CID 62039747
1-(Difluoromethoxy)-3-methylbutan-2-amine
CID 84716517
(2S)-1-(trifluoromethoxy)butan-2-amine hydrochloride
CID 138987490
(2S)-1-methoxy-3,3-dimethylbutan-2-amine
CID 12839821
1,1,1-Trifluoro-3-methoxypropan-2-amine
CID 64984805
1-(Difluoromethoxy)propan-2-amine
CID 84716054
1-(Difluoromethoxy)butan-2-amine
CID 84716199
1,1-Difluoro-3-methoxypropan-2-amine
CID 84731074
(S)-1-(Difluoromethoxy)propan-2-amine
CID 89421032
1-(Trifluoromethoxy)propan-2-amine
CID 91927207
(S)-1-(Trifluoromethoxy)propan-2-amine
CID 117588024

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(trifluoromethoxy)butan-2-amine?
The IUPAC name of 3,3-dimethyl-1-(trifluoromethoxy)butan-2-amine (CID 54594566) is 3,3-dimethyl-1-(trifluoromethoxy)butan-2-amine.
What is the SMILES notation for 3,3-dimethyl-1-(trifluoromethoxy)butan-2-amine?
The canonical SMILES for 3,3-dimethyl-1-(trifluoromethoxy)butan-2-amine is CC(C)(C)C(N)COC(F)(F)F.
What is the InChIKey of 3,3-dimethyl-1-(trifluoromethoxy)butan-2-amine?
The InChIKey is WMQCNSPADBNHFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO/c1-6(2,3)5(11)4-12-7(8,9)10/h5H,4,11H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(trifluoromethoxy)butan-2-amine?
3,3-dimethyl-1-(trifluoromethoxy)butan-2-amine has a molecular weight of 185.19 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(trifluoromethoxy)butan-2-amine is sourced from PubChem (CID 54594566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).