(1,3-difluoro-2-methylpropan-2-yl)azanium chloride

C4H10ClF2N — CID 10964646

IUPAC(1,3-difluoro-2-methylpropan-2-yl)azanium chloride
SMILESCC([NH3+])(CF)CF.[Cl-]
InChIInChI=1S/C4H9F2N.ClH/c1-4(7,2-5)3-6;/h2-3,7H2,1H3;1H
InChIKeyPFQCULSCUHWMAA-UHFFFAOYSA-N
MW145.58 g/mol
LogP-3.07
Rot. Bonds2

About (1,3-difluoro-2-methylpropan-2-yl)azanium chloride

(1,3-difluoro-2-methylpropan-2-yl)azanium chloride (PubChem CID 10964646) has the molecular formula C4H10ClF2N and a molecular weight of 145.58 g/mol. Its IUPAC name is (1,3-difluoro-2-methylpropan-2-yl)azanium chloride.

Molecular Properties

Compound Name(1,3-difluoro-2-methylpropan-2-yl)azanium chloride
PubChem CID10964646
Molecular FormulaC4H10ClF2N
Molecular Weight145.58 g/mol
Exact Mass145.05
IUPAC Name(1,3-difluoro-2-methylpropan-2-yl)azanium chloride
SMILESCC([NH3+])(CF)CF.[Cl-]
InChIInChI=1S/C4H9F2N.ClH/c1-4(7,2-5)3-6;/h2-3,7H2,1H3;1H
InChIKeyPFQCULSCUHWMAA-UHFFFAOYSA-N
XLogP-3.07
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.58
LogP ≤ 5-3.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

[(2S)-1-fluoro-3,3-dimethylbutan-2-yl]azanium chloride
CID 135056424
1,2-difluoro-2-iodopropane
CID 175825476
1,3-difluoro-2-methylpropan-2-amine
CID 10964647
1,1,1-trifluoroethane trichloride
CID 159910186
tert-butylphosphanium chloride
CID 23318676
CID 114986648
CID 114986648
1,2-dichloro-3-fluoro-2-methylpropane
CID 55298520
(2-methyl-1,3-diphenylpropan-2-yl)azanium chloride
CID 110174053
methoxymethane;1,1,1,2,2-pentafluoropropane;1,1,1,2-tetrafluoroethane
CID 158386104
2-methyl-2-(1,1,2-trifluoroethylsulfanyl)propane
CID 23261775
4-fluoro-3,3-dimethylbutan-2-one
CID 13019441
(3-fluoro-2,2-dimethylpropyl)-trimethylsilane
CID 21334692

Frequently Asked Questions

What is the IUPAC name of (1,3-difluoro-2-methylpropan-2-yl)azanium chloride?
The IUPAC name of (1,3-difluoro-2-methylpropan-2-yl)azanium chloride (CID 10964646) is (1,3-difluoro-2-methylpropan-2-yl)azanium chloride.
What is the SMILES notation for (1,3-difluoro-2-methylpropan-2-yl)azanium chloride?
The canonical SMILES for (1,3-difluoro-2-methylpropan-2-yl)azanium chloride is CC([NH3+])(CF)CF.[Cl-].
What is the InChIKey of (1,3-difluoro-2-methylpropan-2-yl)azanium chloride?
The InChIKey is PFQCULSCUHWMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2N.ClH/c1-4(7,2-5)3-6;/h2-3,7H2,1H3;1H.
What are the key properties of (1,3-difluoro-2-methylpropan-2-yl)azanium chloride?
(1,3-difluoro-2-methylpropan-2-yl)azanium chloride has a molecular weight of 145.58 g/mol, XLogP of -3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-difluoro-2-methylpropan-2-yl)azanium chloride is sourced from PubChem (CID 10964646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).