1,1-difluoro-3-methyl-N-propan-2-ylbutan-2-amine

C8H17F2N — CID 162494430

IUPAC1,1-difluoro-3-methyl-N-propan-2-ylbutan-2-amine
SMILESCC(C)NC(C(C)C)C(F)F
InChIInChI=1S/C8H17F2N/c1-5(2)7(8(9)10)11-6(3)4/h5-8,11H,1-4H3
InChIKeyNVVPRXKYQYWIMT-UHFFFAOYSA-N
MW165.23 g/mol
LogP2.27
Rot. Bonds4

About 1,1-difluoro-3-methyl-N-propan-2-ylbutan-2-amine

1,1-difluoro-3-methyl-N-propan-2-ylbutan-2-amine (PubChem CID 162494430) has the molecular formula C8H17F2N and a molecular weight of 165.23 g/mol. Its IUPAC name is 1,1-difluoro-3-methyl-N-propan-2-ylbutan-2-amine.

Molecular Properties

Compound Name1,1-difluoro-3-methyl-N-propan-2-ylbutan-2-amine
PubChem CID162494430
Molecular FormulaC8H17F2N
Molecular Weight165.23 g/mol
Exact Mass165.13
IUPAC Name1,1-difluoro-3-methyl-N-propan-2-ylbutan-2-amine
SMILESCC(C)NC(C(C)C)C(F)F
InChIInChI=1S/C8H17F2N/c1-5(2)7(8(9)10)11-6(3)4/h5-8,11H,1-4H3
InChIKeyNVVPRXKYQYWIMT-UHFFFAOYSA-N
XLogP2.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.23
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,1-difluoro-3-methyl-N-(trifluoromethyl)butan-2-amine
CID 166858336
CID 87569665
CID 87569665
acetylene;N-propan-2-ylpropan-2-amine
CID 88622285
hydrazine;N-propan-2-ylpropan-2-amine
CID 157069346
lithium;azanide;N-propan-2-ylpropan-2-amine
CID 172803690
(2R)-2-fluoro-3-methylbutane;(2S)-2-fluoro-3-methylbutane
CID 159156264
(2S)-1,1,2-trifluoropropane
CID 57131379
CID 174625889
CID 174625889
lithium;sodium;N-propan-2-ylpropan-2-amine;dihydroxide
CID 158295397
ethane;molecular hydrogen;N-propan-2-ylpropan-2-amine
CID 142338134
2-deuterio-N-propan-2-ylpropan-2-amine
CID 11423564
1-(4-tert-butylphenyl)-3-methyl-2-(propan-2-ylamino)butan-1-ol
CID 82313652

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-methyl-N-propan-2-ylbutan-2-amine?
The IUPAC name of 1,1-difluoro-3-methyl-N-propan-2-ylbutan-2-amine (CID 162494430) is 1,1-difluoro-3-methyl-N-propan-2-ylbutan-2-amine.
What is the SMILES notation for 1,1-difluoro-3-methyl-N-propan-2-ylbutan-2-amine?
The canonical SMILES for 1,1-difluoro-3-methyl-N-propan-2-ylbutan-2-amine is CC(C)NC(C(C)C)C(F)F.
What is the InChIKey of 1,1-difluoro-3-methyl-N-propan-2-ylbutan-2-amine?
The InChIKey is NVVPRXKYQYWIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2N/c1-5(2)7(8(9)10)11-6(3)4/h5-8,11H,1-4H3.
What are the key properties of 1,1-difluoro-3-methyl-N-propan-2-ylbutan-2-amine?
1,1-difluoro-3-methyl-N-propan-2-ylbutan-2-amine has a molecular weight of 165.23 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-methyl-N-propan-2-ylbutan-2-amine is sourced from PubChem (CID 162494430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).