(1S)-1-(difluoromethoxy)-3-methylbutan-1-amine

C6H13F2NO — CID 177282070

IUPAC(1S)-1-(difluoromethoxy)-3-methylbutan-1-amine
SMILESCC(C)C[C@@H](N)OC(F)F
InChIInChI=1S/C6H13F2NO/c1-4(2)3-5(9)10-6(7)8/h4-6H,3,9H2,1-2H3/t5-/m0/s1
InChIKeyQQZZESMSWWPLHU-YFKPBYRVSA-N
MW153.17 g/mol
LogP1.56
Rot. Bonds4

About (1S)-1-(difluoromethoxy)-3-methylbutan-1-amine

(1S)-1-(difluoromethoxy)-3-methylbutan-1-amine (PubChem CID 177282070) has the molecular formula C6H13F2NO and a molecular weight of 153.17 g/mol. Its IUPAC name is (1S)-1-(difluoromethoxy)-3-methylbutan-1-amine.

Molecular Properties

Compound Name(1S)-1-(difluoromethoxy)-3-methylbutan-1-amine
PubChem CID177282070
Molecular FormulaC6H13F2NO
Molecular Weight153.17 g/mol
Exact Mass153.10
IUPAC Name(1S)-1-(difluoromethoxy)-3-methylbutan-1-amine
SMILESCC(C)C[C@@H](N)OC(F)F
InChIInChI=1S/C6H13F2NO/c1-4(2)3-5(9)10-6(7)8/h4-6H,3,9H2,1-2H3/t5-/m0/s1
InChIKeyQQZZESMSWWPLHU-YFKPBYRVSA-N
XLogP1.56
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.17
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-1-(2,2,2-trifluoroethoxy)butan-1-amine
CID 123923046
(2,2-Difluorocyclopropyl)-methoxymethanamine
CID 134455963
Methoxy-[1-(trifluoromethyl)cyclopropyl]methanamine
CID 146427393
1-(Trifluoromethoxy)propan-1-amine
CID 155234979
1-(Trifluoromethoxy)butan-1-amine
CID 158341195
1-Amino-2-(trifluoromethyl)butan-1-ol
CID 162593874
(1S)-1-(trifluoromethoxy)propan-1-amine
CID 169810029
(1S)-1-(difluoromethoxy)propan-1-amine
CID 169810030
1-(1,1-Difluoro-2-methylpropoxy)ethanamine
CID 170382207
(1S)-3-methyl-1-(trifluoromethoxy)butan-1-amine
CID 177117874
2-Methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62505182
4-Methoxy-2-(trifluoromethyl)butan-1-amine
CID 82534369

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(difluoromethoxy)-3-methylbutan-1-amine?
The IUPAC name of (1S)-1-(difluoromethoxy)-3-methylbutan-1-amine (CID 177282070) is (1S)-1-(difluoromethoxy)-3-methylbutan-1-amine.
What is the SMILES notation for (1S)-1-(difluoromethoxy)-3-methylbutan-1-amine?
The canonical SMILES for (1S)-1-(difluoromethoxy)-3-methylbutan-1-amine is CC(C)C[C@@H](N)OC(F)F.
What is the InChIKey of (1S)-1-(difluoromethoxy)-3-methylbutan-1-amine?
The InChIKey is QQZZESMSWWPLHU-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H13F2NO/c1-4(2)3-5(9)10-6(7)8/h4-6H,3,9H2,1-2H3/t5-/m0/s1.
What are the key properties of (1S)-1-(difluoromethoxy)-3-methylbutan-1-amine?
(1S)-1-(difluoromethoxy)-3-methylbutan-1-amine has a molecular weight of 153.17 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(difluoromethoxy)-3-methylbutan-1-amine is sourced from PubChem (CID 177282070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).