2-methylpropane;(2R)-1,1,1-trifluoropropan-2-amine

C7H16F3N — CID 159945347

IUPAC2-methylpropane;(2R)-1,1,1-trifluoropropan-2-amine
SMILESCC(C)C.C[C@@H](N)C(F)(F)F
InChIInChI=1S/C4H10.C3H6F3N/c1-4(2)3;1-2(7)3(4,5)6/h4H,1-3H3;2H,7H2,1H3/t;2-/m.1/s1
InChIKeyOBKHMJHBYQHKCH-ARGLLVQISA-N
MW171.21 g/mol
LogP2.56
Rot. Bonds

About 2-methylpropane;(2R)-1,1,1-trifluoropropan-2-amine

2-methylpropane;(2R)-1,1,1-trifluoropropan-2-amine (PubChem CID 159945347) has the molecular formula C7H16F3N and a molecular weight of 171.21 g/mol. Its IUPAC name is 2-methylpropane;(2R)-1,1,1-trifluoropropan-2-amine.

Molecular Properties

Compound Name2-methylpropane;(2R)-1,1,1-trifluoropropan-2-amine
PubChem CID159945347
Molecular FormulaC7H16F3N
Molecular Weight171.21 g/mol
Exact Mass171.12
IUPAC Name2-methylpropane;(2R)-1,1,1-trifluoropropan-2-amine
SMILESCC(C)C.C[C@@H](N)C(F)(F)F
InChIInChI=1S/C4H10.C3H6F3N/c1-4(2)3;1-2(7)3(4,5)6/h4H,1-3H3;2H,7H2,1H3/t;2-/m.1/s1
InChIKeyOBKHMJHBYQHKCH-ARGLLVQISA-N
XLogP2.56
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2S)-3-fluoro-3-methylbutan-2-amine
CID 83814959
1-bromo-1,1-difluoropropan-2-amine;hydrochloride
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CID 130988807
(2S)-3,3,4,4,5,5,5-heptafluoropentan-2-amine
CID 96572524
(2S,3S)-1,1,1-trifluoro-3,4-dimethylpentan-2-amine
CID 122577413
(2S)-4,4,4-trifluoro-3,3-dimethylbutan-2-amine;hydrochloride
CID 86659431
(2R,3S)-3-amino-1,1,1-trifluorobutan-2-ol;hydrochloride
CID 24797122
2-amino-1-sulfanylpropane-1,1-diol
CID 22614078
4-methyl-3-propan-2-ylpentane-2,3-diamine
CID 23346809
ethane;1,1,1-trifluoro-2-methylpropane
CID 155727070
1,1,1,3,3,3-hexafluoro-2-methylpropane
CID 158463707
5,5,5-trifluoro-4-methylpentan-2-amine
CID 55254968

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;(2R)-1,1,1-trifluoropropan-2-amine?
The IUPAC name of 2-methylpropane;(2R)-1,1,1-trifluoropropan-2-amine (CID 159945347) is 2-methylpropane;(2R)-1,1,1-trifluoropropan-2-amine.
What is the SMILES notation for 2-methylpropane;(2R)-1,1,1-trifluoropropan-2-amine?
The canonical SMILES for 2-methylpropane;(2R)-1,1,1-trifluoropropan-2-amine is CC(C)C.C[C@@H](N)C(F)(F)F.
What is the InChIKey of 2-methylpropane;(2R)-1,1,1-trifluoropropan-2-amine?
The InChIKey is OBKHMJHBYQHKCH-ARGLLVQISA-N. The full InChI is InChI=1S/C4H10.C3H6F3N/c1-4(2)3;1-2(7)3(4,5)6/h4H,1-3H3;2H,7H2,1H3/t;2-/m.1/s1.
What are the key properties of 2-methylpropane;(2R)-1,1,1-trifluoropropan-2-amine?
2-methylpropane;(2R)-1,1,1-trifluoropropan-2-amine has a molecular weight of 171.21 g/mol, XLogP of 2.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;(2R)-1,1,1-trifluoropropan-2-amine is sourced from PubChem (CID 159945347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).