1-(2,2,2-trifluoroethoxy)butan-2-amine

C6H12F3NO — CID 62039747

IUPAC1-(2,2,2-trifluoroethoxy)butan-2-amine
SMILESCCC(N)COCC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-2-5(10)3-11-4-6(7,8)9/h5H,2-4,10H2,1H3
InChIKeyWNGKXRMUFJDQEE-UHFFFAOYSA-N
MW171.16 g/mol
LogP1.30
Rot. Bonds4

About 1-(2,2,2-trifluoroethoxy)butan-2-amine

1-(2,2,2-trifluoroethoxy)butan-2-amine (PubChem CID 62039747) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)butan-2-amine.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)butan-2-amine
PubChem CID62039747
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name1-(2,2,2-trifluoroethoxy)butan-2-amine
SMILESCCC(N)COCC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-2-5(10)3-11-4-6(7,8)9/h5H,2-4,10H2,1H3
InChIKeyWNGKXRMUFJDQEE-UHFFFAOYSA-N
XLogP1.30
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Butanamine, 1-methoxy-
CID 93837
2-(2,2,2-Trifluoroethoxy)ethanamine
CID 2060297
(2S)-1-(trifluoromethoxy)propan-2-amine hydrochloride
CID 121000302
(2R)-1-(difluoromethoxy)propan-2-amine hydrochloride
CID 122446094
(2S)-1-(difluoromethoxy)propan-2-amine hydrochloride
CID 122446099
1-(Trifluoromethoxy)propan-2-amine hydrochloride
CID 135354874
1-(Trifluoromethoxy)butan-2-amine hydrochloride
CID 135355061
1,1,1-Trifluoro-3-methoxypropan-2-amine hydrochloride
CID 137838509
1-(Difluoromethoxy)propan-2-amine hydrochloride
CID 138112561
1-(Ethoxymethyl)-2,2,2-trifluoroethylamin
CID 64981755
2-Butanamine, 1-methoxy-, (2R)-
CID 21035684
1-(2,2,2-Trifluoroethoxy)propan-2-amine hydrochloride
CID 47002333

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethoxy)butan-2-amine?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)butan-2-amine (CID 62039747) is 1-(2,2,2-trifluoroethoxy)butan-2-amine.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)butan-2-amine?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)butan-2-amine is CCC(N)COCC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)butan-2-amine?
The InChIKey is WNGKXRMUFJDQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO/c1-2-5(10)3-11-4-6(7,8)9/h5H,2-4,10H2,1H3.
What are the key properties of 1-(2,2,2-trifluoroethoxy)butan-2-amine?
1-(2,2,2-trifluoroethoxy)butan-2-amine has a molecular weight of 171.16 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethoxy)butan-2-amine is sourced from PubChem (CID 62039747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).