4,4,4-trifluoro-2-(methoxymethyl)butan-1-amine

C6H12F3NO — CID 82534532

IUPAC4,4,4-trifluoro-2-(methoxymethyl)butan-1-amine
SMILESCOCC(CN)CC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-11-4-5(3-10)2-6(7,8)9/h5H,2-4,10H2,1H3
InChIKeyQBRBCXYVHORZCX-UHFFFAOYSA-N
MW171.16 g/mol
LogP1.16
Rot. Bonds4

About 4,4,4-trifluoro-2-(methoxymethyl)butan-1-amine

4,4,4-trifluoro-2-(methoxymethyl)butan-1-amine (PubChem CID 82534532) has the molecular formula C6H12F3NO and a molecular weight of 171.16 g/mol. Its IUPAC name is 4,4,4-trifluoro-2-(methoxymethyl)butan-1-amine.

Molecular Properties

Compound Name4,4,4-trifluoro-2-(methoxymethyl)butan-1-amine
PubChem CID82534532
Molecular FormulaC6H12F3NO
Molecular Weight171.16 g/mol
Exact Mass171.09
IUPAC Name4,4,4-trifluoro-2-(methoxymethyl)butan-1-amine
SMILESCOCC(CN)CC(F)(F)F
InChIInChI=1S/C6H12F3NO/c1-11-4-5(3-10)2-6(7,8)9/h5H,2-4,10H2,1H3
InChIKeyQBRBCXYVHORZCX-UHFFFAOYSA-N
XLogP1.16
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 ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Fluoromethoxy)-2-methylpropan-1-amine
CID 88585743
3-Methyl-1-(2,2,2-trifluoroethoxy)butan-1-amine
CID 123923046
(2,2-Difluorocyclopropyl)-methoxymethanamine
CID 134455963
2,2-Difluoro-3-(2-methylpropoxy)propan-1-amine
CID 138478658
1-(Trifluoromethoxy)butan-1-amine
CID 158341195
1-[2,2-Difluoro-1-(methoxymethyl)cyclopropyl]methanamine
CID 165643801
(1S)-3-methyl-1-(trifluoromethoxy)butan-1-amine
CID 177117874
(1S)-1-(difluoromethoxy)-3-methylbutan-1-amine
CID 177282070
2-Methyl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 43175045
2-Methyl-3-(2,2,3,3-tetrafluoropropoxy)propan-1-amine
CID 43368517
4,4,4-Trifluoro-3-(3-methylbutoxy)butan-1-amine
CID 43753301
2-Methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62505182

Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-2-(methoxymethyl)butan-1-amine?
The IUPAC name of 4,4,4-trifluoro-2-(methoxymethyl)butan-1-amine (CID 82534532) is 4,4,4-trifluoro-2-(methoxymethyl)butan-1-amine.
What is the SMILES notation for 4,4,4-trifluoro-2-(methoxymethyl)butan-1-amine?
The canonical SMILES for 4,4,4-trifluoro-2-(methoxymethyl)butan-1-amine is COCC(CN)CC(F)(F)F.
What is the InChIKey of 4,4,4-trifluoro-2-(methoxymethyl)butan-1-amine?
The InChIKey is QBRBCXYVHORZCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO/c1-11-4-5(3-10)2-6(7,8)9/h5H,2-4,10H2,1H3.
What are the key properties of 4,4,4-trifluoro-2-(methoxymethyl)butan-1-amine?
4,4,4-trifluoro-2-(methoxymethyl)butan-1-amine has a molecular weight of 171.16 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-2-(methoxymethyl)butan-1-amine is sourced from PubChem (CID 82534532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).