(2S)-3,3,3-trifluoro-2-methylpropan-1-amine

C4H8F3N — CID 86316220

IUPAC(2S)-3,3,3-trifluoro-2-methylpropan-1-amine
SMILESC[C@@H](CN)C(F)(F)F
InChIInChI=1S/C4H8F3N/c1-3(2-8)4(5,6)7/h3H,2,8H2,1H3/t3-/m0/s1
InChIKeyRGXWOVRGNDFFDI-VKHMYHEASA-N
MW127.11 g/mol
LogP1.14
Rot. Bonds1

About (2S)-3,3,3-trifluoro-2-methylpropan-1-amine

(2S)-3,3,3-trifluoro-2-methylpropan-1-amine (PubChem CID 86316220) has the molecular formula C4H8F3N and a molecular weight of 127.11 g/mol. Its IUPAC name is (2S)-3,3,3-trifluoro-2-methylpropan-1-amine.

Molecular Properties

Compound Name(2S)-3,3,3-trifluoro-2-methylpropan-1-amine
PubChem CID86316220
Molecular FormulaC4H8F3N
Molecular Weight127.11 g/mol
Exact Mass127.06
IUPAC Name(2S)-3,3,3-trifluoro-2-methylpropan-1-amine
SMILESC[C@@H](CN)C(F)(F)F
InChIInChI=1S/C4H8F3N/c1-3(2-8)4(5,6)7/h3H,2,8H2,1H3/t3-/m0/s1
InChIKeyRGXWOVRGNDFFDI-VKHMYHEASA-N
XLogP1.14
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.11
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

DL-2-Amino-3-methyl-1,1,1-trifluorobutane
CID 44717389
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
1-Propanamine, 3,3,3-trifluoro-2-methyl-
CID 10351708
4,4,4-Trifluoro-3-methylbutan-1-amine
CID 10464414
1-Butanamine, 4,4,4-trifluoro-2-methyl-
CID 10197739
(2R)-1,1,1-trifluoro-3-methylbutan-2-amine hydrochloride
CID 66570526
(2S)-1,1,1-trifluoro-3-methylbutan-2-amine hydrochloride
CID 66570527
4,4,4-Trifluoro-3-methylbutan-1-amine hydrochloride
CID 134163276
4,4-Difluoro-3-methylbutan-1-amine hydrochloride
CID 138991513
(2R)-1,1-difluoro-3-methylbutan-2-amine hydrochloride
CID 146049511

Frequently Asked Questions

What is the IUPAC name of (2S)-3,3,3-trifluoro-2-methylpropan-1-amine?
The IUPAC name of (2S)-3,3,3-trifluoro-2-methylpropan-1-amine (CID 86316220) is (2S)-3,3,3-trifluoro-2-methylpropan-1-amine.
What is the SMILES notation for (2S)-3,3,3-trifluoro-2-methylpropan-1-amine?
The canonical SMILES for (2S)-3,3,3-trifluoro-2-methylpropan-1-amine is C[C@@H](CN)C(F)(F)F.
What is the InChIKey of (2S)-3,3,3-trifluoro-2-methylpropan-1-amine?
The InChIKey is RGXWOVRGNDFFDI-VKHMYHEASA-N. The full InChI is InChI=1S/C4H8F3N/c1-3(2-8)4(5,6)7/h3H,2,8H2,1H3/t3-/m0/s1.
What are the key properties of (2S)-3,3,3-trifluoro-2-methylpropan-1-amine?
(2S)-3,3,3-trifluoro-2-methylpropan-1-amine has a molecular weight of 127.11 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3,3,3-trifluoro-2-methylpropan-1-amine is sourced from PubChem (CID 86316220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).