1,1,1-trifluoro-4,4-dimethyl-2-(trifluoromethyl)pentan-3-amine

C8H13F6N — CID 103311915

IUPAC1,1,1-trifluoro-4,4-dimethyl-2-(trifluoromethyl)pentan-3-amine
SMILESCC(C)(C)C(N)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H13F6N/c1-6(2,3)5(15)4(7(9,10)11)8(12,13)14/h4-5H,15H2,1-3H3
InChIKeyXRPGJZXJPUHSEU-UHFFFAOYSA-N
MW237.19 g/mol
LogP3.10
Rot. Bonds1

About 1,1,1-trifluoro-4,4-dimethyl-2-(trifluoromethyl)pentan-3-amine

1,1,1-trifluoro-4,4-dimethyl-2-(trifluoromethyl)pentan-3-amine (PubChem CID 103311915) has the molecular formula C8H13F6N and a molecular weight of 237.19 g/mol. Its IUPAC name is 1,1,1-trifluoro-4,4-dimethyl-2-(trifluoromethyl)pentan-3-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-4,4-dimethyl-2-(trifluoromethyl)pentan-3-amine
PubChem CID103311915
Molecular FormulaC8H13F6N
Molecular Weight237.19 g/mol
Exact Mass237.10
IUPAC Name1,1,1-trifluoro-4,4-dimethyl-2-(trifluoromethyl)pentan-3-amine
SMILESCC(C)(C)C(N)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H13F6N/c1-6(2,3)5(15)4(7(9,10)11)8(12,13)14/h4-5H,15H2,1-3H3
InChIKeyXRPGJZXJPUHSEU-UHFFFAOYSA-N
XLogP3.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.19
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2-difluoro-4,4-dimethylpentan-3-amine
CID 84649526
(3S)-2,2-difluoro-4-methylpentan-3-amine
CID 84648303
1,1,1-trifluoro-3,3-dimethylbutan-2-amine
CID 53414766
2,2-difluoropropane-1,1-diamine;hydrochloride
CID 87958689
(2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-amine
CID 122577413
1-fluoro-2,2-dimethylpropan-1-amine
CID 88688039
1,1,1-trifluorobutane-2,3-diamine
CID 130988807
2,2,4,5,5-pentamethylhexan-3-amine
CID 131148580
2-fluoro-2,4,4-trimethylpentan-3-amine
CID 84763032
(2R)-1,1,1,3,3-pentafluoropropan-2-amine
CID 130625180
(2S)-3-fluoro-3-methylbutan-2-amine
CID 83814959
2-methylpropane;(2R)-1,1,1-trifluoropropan-2-amine
CID 159945347

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-4,4-dimethyl-2-(trifluoromethyl)pentan-3-amine?
The IUPAC name of 1,1,1-trifluoro-4,4-dimethyl-2-(trifluoromethyl)pentan-3-amine (CID 103311915) is 1,1,1-trifluoro-4,4-dimethyl-2-(trifluoromethyl)pentan-3-amine.
What is the SMILES notation for 1,1,1-trifluoro-4,4-dimethyl-2-(trifluoromethyl)pentan-3-amine?
The canonical SMILES for 1,1,1-trifluoro-4,4-dimethyl-2-(trifluoromethyl)pentan-3-amine is CC(C)(C)C(N)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-4,4-dimethyl-2-(trifluoromethyl)pentan-3-amine?
The InChIKey is XRPGJZXJPUHSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F6N/c1-6(2,3)5(15)4(7(9,10)11)8(12,13)14/h4-5H,15H2,1-3H3.
What are the key properties of 1,1,1-trifluoro-4,4-dimethyl-2-(trifluoromethyl)pentan-3-amine?
1,1,1-trifluoro-4,4-dimethyl-2-(trifluoromethyl)pentan-3-amine has a molecular weight of 237.19 g/mol, XLogP of 3.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-4,4-dimethyl-2-(trifluoromethyl)pentan-3-amine is sourced from PubChem (CID 103311915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).