4,4-difluoro-3-methylbutan-1-amine;hydrochloride

C5H12ClF2N — CID 138991513

IUPAC4,4-difluoro-3-methylbutan-1-amine;hydrochloride
SMILESCC(CCN)C(F)F.Cl
InChIInChI=1S/C5H11F2N.ClH/c1-4(2-3-8)5(6)7;/h4-5H,2-3,8H2,1H3;1H
InChIKeyOOAHCHARDKUCIU-UHFFFAOYSA-N
MW159.61 g/mol
LogP1.66
Rot. Bonds3

About 4,4-difluoro-3-methylbutan-1-amine;hydrochloride

4,4-difluoro-3-methylbutan-1-amine;hydrochloride (PubChem CID 138991513) has the molecular formula C5H12ClF2N and a molecular weight of 159.61 g/mol. Its IUPAC name is 4,4-difluoro-3-methylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name4,4-difluoro-3-methylbutan-1-amine;hydrochloride
PubChem CID138991513
Molecular FormulaC5H12ClF2N
Molecular Weight159.61 g/mol
Exact Mass159.06
IUPAC Name4,4-difluoro-3-methylbutan-1-amine;hydrochloride
SMILESCC(CCN)C(F)F.Cl
InChIInChI=1S/C5H11F2N.ClH/c1-4(2-3-8)5(6)7;/h4-5H,2-3,8H2,1H3;1H
InChIKeyOOAHCHARDKUCIU-UHFFFAOYSA-N
XLogP1.66
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.61
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-Butanamine, 3-methyl-, hydrochloride (1:1)
CID 10922
DL-2-Amino-3-methyl-1,1,1-trifluorobutane
CID 44717389
1-Butanamine, 4,4,4-trifluoro-, hydrochloride (1:1)
CID 187408
4,4-Difluorobutan-1-amine hydrochloride
CID 2758267
3,3,3-Trifluoro-2-methylpropan-1-amine hydrochloride
CID 13620757
4,4,4-Trifluoro-2-methylbutan-1-amine hydrochloride
CID 21841122
Dl-2-Amino-1,1,1-Trifluoro-3-Methylbutane Hydrochloride
CID 46942220
4,4,4-Trifluoro-3-(trifluoromethyl)butan-1-amine hydrochloride
CID 53407813
2,2-Difluorobutan-1-amine hydrochloride
CID 71755557
2-Methylbutan-1-amine hydrochloride
CID 72662672
(2,2-Difluorocyclopropyl)methanamine hydrochloride
CID 75480932
3,3-Difluorobutan-1-amine hydrochloride
CID 84716328

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-3-methylbutan-1-amine;hydrochloride?
The IUPAC name of 4,4-difluoro-3-methylbutan-1-amine;hydrochloride (CID 138991513) is 4,4-difluoro-3-methylbutan-1-amine;hydrochloride.
What is the SMILES notation for 4,4-difluoro-3-methylbutan-1-amine;hydrochloride?
The canonical SMILES for 4,4-difluoro-3-methylbutan-1-amine;hydrochloride is CC(CCN)C(F)F.Cl.
What is the InChIKey of 4,4-difluoro-3-methylbutan-1-amine;hydrochloride?
The InChIKey is OOAHCHARDKUCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2N.ClH/c1-4(2-3-8)5(6)7;/h4-5H,2-3,8H2,1H3;1H.
What are the key properties of 4,4-difluoro-3-methylbutan-1-amine;hydrochloride?
4,4-difluoro-3-methylbutan-1-amine;hydrochloride has a molecular weight of 159.61 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-3-methylbutan-1-amine;hydrochloride is sourced from PubChem (CID 138991513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).