(2R,3R)-3-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine

C8H16F3N — CID 28608773

IUPAC(2R,3R)-3-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine
SMILESCC[C@@H](C)[C@@H](C)NCC(F)(F)F
InChIInChI=1S/C8H16F3N/c1-4-6(2)7(3)12-5-8(9,10)11/h6-7,12H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKeyPQBGTTOBYWOKJH-RNFRBKRXSA-N
MW183.22 g/mol
LogP2.57
Rot. Bonds4

About (2R,3R)-3-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine

(2R,3R)-3-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine (PubChem CID 28608773) has the molecular formula C8H16F3N and a molecular weight of 183.22 g/mol. Its IUPAC name is (2R,3R)-3-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine.

Molecular Properties

Compound Name(2R,3R)-3-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine
PubChem CID28608773
Molecular FormulaC8H16F3N
Molecular Weight183.22 g/mol
Exact Mass183.12
IUPAC Name(2R,3R)-3-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine
SMILESCC[C@@H](C)[C@@H](C)NCC(F)(F)F
InChIInChI=1S/C8H16F3N/c1-4-6(2)7(3)12-5-8(9,10)11/h6-7,12H,4-5H2,1-3H3/t6-,7-/m1/s1
InChIKeyPQBGTTOBYWOKJH-RNFRBKRXSA-N
XLogP2.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.22
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,2,2-trifluoroethyl)pentan-3-amine
CID 24704116
(2S)-1-methoxy-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 28571144
N-(methoxymethyl)-3-methylpentan-2-amine
CID 143368694
3,3,3-trifluoro-2-[(3-methylpentan-2-ylamino)methyl]propanoic acid
CID 103244075
1-bromo-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 107859563
(2R,3R)-3-methyl-N-(3-methylbutyl)pentan-2-amine
CID 28614527
N-butyl-3-methylpentan-2-amine
CID 43200990
2-ethyl-3-methyl-N-(2,2,2-trifluoroethyl)pentanamide
CID 89141345
(1,1,1-trifluoro-3-methylpentan-2-yl)hydrazine
CID 105215778
4-methoxy-3-methyl-2-N-(2,2,2-trifluoroethyl)butane-1,2-diamine
CID 116501816
3-(2,2,2-trifluoroethylamino)pentanenitrile
CID 43368798
N-(2,2,2-trifluoroethyl)nonan-2-amine
CID 43129666

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine?
The IUPAC name of (2R,3R)-3-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine (CID 28608773) is (2R,3R)-3-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine.
What is the SMILES notation for (2R,3R)-3-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine?
The canonical SMILES for (2R,3R)-3-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine is CC[C@@H](C)[C@@H](C)NCC(F)(F)F.
What is the InChIKey of (2R,3R)-3-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine?
The InChIKey is PQBGTTOBYWOKJH-RNFRBKRXSA-N. The full InChI is InChI=1S/C8H16F3N/c1-4-6(2)7(3)12-5-8(9,10)11/h6-7,12H,4-5H2,1-3H3/t6-,7-/m1/s1.
What are the key properties of (2R,3R)-3-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine?
(2R,3R)-3-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine has a molecular weight of 183.22 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-methyl-N-(2,2,2-trifluoroethyl)pentan-2-amine is sourced from PubChem (CID 28608773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).