3-methylbutan-2-amine;1,1,3-trichloro-1,2,2,3-tetrafluoropropane

C8H14Cl3F4N — CID 160996820

IUPAC3-methylbutan-2-amine;1,1,3-trichloro-1,2,2,3-tetrafluoropropane
SMILESCC(C)C(C)N.FC(Cl)C(F)(F)C(F)(Cl)Cl
InChIInChI=1S/C5H13N.C3HCl3F4/c1-4(2)5(3)6;4-1(7)2(8,9)3(5,6)10/h4-5H,6H2,1-3H3;1H
InChIKeyTVIZDKQQJQYTKO-UHFFFAOYSA-N
MW306.56 g/mol
LogP4.25
Rot. Bonds3

About 3-methylbutan-2-amine;1,1,3-trichloro-1,2,2,3-tetrafluoropropane

3-methylbutan-2-amine;1,1,3-trichloro-1,2,2,3-tetrafluoropropane (PubChem CID 160996820) has the molecular formula C8H14Cl3F4N and a molecular weight of 306.56 g/mol. Its IUPAC name is 3-methylbutan-2-amine;1,1,3-trichloro-1,2,2,3-tetrafluoropropane.

Molecular Properties

Compound Name3-methylbutan-2-amine;1,1,3-trichloro-1,2,2,3-tetrafluoropropane
PubChem CID160996820
Molecular FormulaC8H14Cl3F4N
Molecular Weight306.56 g/mol
Exact Mass305.01
IUPAC Name3-methylbutan-2-amine;1,1,3-trichloro-1,2,2,3-tetrafluoropropane
SMILESCC(C)C(C)N.FC(Cl)C(F)(F)C(F)(Cl)Cl
InChIInChI=1S/C5H13N.C3HCl3F4/c1-4(2)5(3)6;4-1(7)2(8,9)3(5,6)10/h4-5H,6H2,1-3H3;1H
InChIKeyTVIZDKQQJQYTKO-UHFFFAOYSA-N
XLogP4.25
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.56
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2R)-3-methylbutan-2-amine
CID 6999786
1,2-dichloro-1,2-difluoro-3-methylbutane
CID 56617093
chloro(trifluoro)methane;1,1-difluoroethane
CID 161180973
(2S)-3-methylbutan-2-amine;2-methylpropane
CID 161042679
2-chloro-2-fluoro-3-methylbutane
CID 88897527
(1R)-1-chloro-1,2-difluoro-2-methylpropane
CID 129383496
1,2-dichloro-1,1,2-trifluoroethane chloride
CID 158973247
1-chloro-1,1-difluoroethane;chloro(difluoro)methane;dichloro(difluoro)methane
CID 157380637
1-fluoro-2,2-dimethylpropan-1-amine
CID 88688039
chloro(difluoro)methane;dichloro(difluoro)methane;trichloro(fluoro)methane
CID 19892956
2,2-difluoro-4,4-dimethylpentan-3-amine
CID 84649526
(3S)-2,2-difluoro-4-methylpentan-3-amine
CID 84648303

Frequently Asked Questions

What is the IUPAC name of 3-methylbutan-2-amine;1,1,3-trichloro-1,2,2,3-tetrafluoropropane?
The IUPAC name of 3-methylbutan-2-amine;1,1,3-trichloro-1,2,2,3-tetrafluoropropane (CID 160996820) is 3-methylbutan-2-amine;1,1,3-trichloro-1,2,2,3-tetrafluoropropane.
What is the SMILES notation for 3-methylbutan-2-amine;1,1,3-trichloro-1,2,2,3-tetrafluoropropane?
The canonical SMILES for 3-methylbutan-2-amine;1,1,3-trichloro-1,2,2,3-tetrafluoropropane is CC(C)C(C)N.FC(Cl)C(F)(F)C(F)(Cl)Cl.
What is the InChIKey of 3-methylbutan-2-amine;1,1,3-trichloro-1,2,2,3-tetrafluoropropane?
The InChIKey is TVIZDKQQJQYTKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.C3HCl3F4/c1-4(2)5(3)6;4-1(7)2(8,9)3(5,6)10/h4-5H,6H2,1-3H3;1H.
What are the key properties of 3-methylbutan-2-amine;1,1,3-trichloro-1,2,2,3-tetrafluoropropane?
3-methylbutan-2-amine;1,1,3-trichloro-1,2,2,3-tetrafluoropropane has a molecular weight of 306.56 g/mol, XLogP of 4.25, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutan-2-amine;1,1,3-trichloro-1,2,2,3-tetrafluoropropane is sourced from PubChem (CID 160996820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).